Tetracosane

CAS 646-31-1  ·  C24H50  ·  MW 338.7 g/mol

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3D model Tetracosane, CAS 646-31-1, molecular formula C24H50, molar mass 338.7 g/mol
About Tetracosane

Tetracosane is a chemical compound registered under number CAS 646-31-1, with the molecular formula C24H50, and a molar mass of 338.7 g/mol.

The molecule contains 74 atoms connected by 73 chemical bonds. The full systematic IUPAC name of this compound is tetracosane. 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 = 12.6 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 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 formulaC24H50
Molar mass338.7 g/mol
IUPACtetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCC
InChIKeyPOOSGDOYLQNASK-UHFFFAOYSA-N
logP (XLogP3)12.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 12592 ↗
Scientific literature

Brak articles naukowych dla CAS 646-31-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
TETRACOSANE · n-Tetracosane · 646-31-1 · YQ5H1M1D7I · CHEBI:32936 · NSC-2984 · RefChem:49853 · DTXCID7044346 · 211-474-5 · Tricosane, methyl- · Lignocerane · MFCD00009352 · UNII-YQ5H1M1D7I · Tetracosane, 99% · C24H50
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.

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/12592
  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)
Tetracosane (CAS 646-31-1), C24H50 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

MG-STL-646-31-1-ENGRAVED · 781,834 △ · 37 MB · SHA-256 becdede2e2b48de6

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Tetracosane (CAS 646-31-1), C24H50 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-646-31-1-NORMAL · 30,688 △ · 1 MB · SHA-256 9f2bf4d842b8f3fd

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Model
Tetracosane · 646-31-1
InChIKey
POOSGDOYLQNASK-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Tetracosane (CAS 646-31-1)
License & provenance record
Tetracosane (CAS 646-31-1) →
MolGod molecule record
Tetracosane →
Source data
PubChem CID 12592 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 59d3f622957e · generated 2026-10-08
SHA-256 (STL)
9f2bf4d842b8f3fd044c4f8858732a48599679a5b70380dc629ab07d80efadd9
MD5 (STL)
a412559be5e013031f6ebe26b8c29f90
Model identifier
MG-STL-646-31-1
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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