12-Hydroxystearic acid

CAS 106-14-9  ·  C18H36O3  ·  MW 300.5 g/mol

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3D model 12-Hydroxystearic acid, CAS 106-14-9, molecular formula C18H36O3, molar mass 300.5 g/mol

Model views

  • 12-Hydroxystearic acid (CAS 106-14-9) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 12-Hydroxystearic acid (CAS 106-14-9) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • 12-Hydroxystearic acid (CAS 106-14-9) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • 12-Hydroxystearic acid (CAS 106-14-9) – 2D structure, MolGod Viewer
    2D structure

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About 12-Hydroxystearic acid

12-Hydroxystearic acid is a chemical compound registered under number CAS 106-14-9, with the molecular formula C18H36O3, and a molar mass of 300.5 g/mol.

The molecule contains 57 atoms connected by 56 chemical bonds. The full systematic IUPAC name of this compound is 12-hydroxyoctadecanoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 6.5 (positive value, a lipophilic compound), polar surface area PSA = 57.5 Ų, 2 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC18H36O3
Molar mass300.5 g/mol
IUPAC12-hydroxyoctadecanoic acid
SMILESCCCCCCC(CCCCCCCCCCC(=O)O)O
InChIKeyULQISTXYYBZJSJ-UHFFFAOYSA-N
logP (XLogP3)6.5
PSA57.5 Ų
HBD / HBA2 / 3
PubChem CIDCID 7789 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS09
GHS09
Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
12-Hydroxystearic acid · 12-HYDROXYOCTADECANOIC ACID · 106-14-9 · DL-12-Hydroxystearic acid · Cerit Fac 3 · Hydrofol acid 200 · Ceroxin GL · Barolub FTO · Stearic acid, 12-hydroxy- · Loxiol G 21 · NSC 2385 · 12-hydroxy-octadecanoic acid · HSDB 5368 · EINECS 203-366-1 · EINECS 253-004-1
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

1 stereo element(s) undefined in the source record (1 stereocentre(s), 0 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/7789
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
12-Hydroxystearic acid (CAS 106-14-9), C18H36O3 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

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12-Hydroxystearic acid (CAS 106-14-9), C18H36O3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
12-Hydroxystearic acid · 106-14-9
InChIKey
ULQISTXYYBZJSJ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — 12-Hydroxystearic acid (CAS 106-14-9)
License & provenance record
12-Hydroxystearic acid (CAS 106-14-9) →
MolGod molecule record
12-Hydroxystearic acid →
Source data
PubChem CID 7789 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
32247dcd3d3e6b299e957863b0527d57837411e5a0941ff7470b10cfba6d42c5
MD5 (STL)
9def104a9671a47f2e556da702fa98f4
Model identifier
MG-STL-106-14-9
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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