Octadecyl vinyl ether

CAS 930-02-9  ·  C20H40O  ·  MW 296.5 g/mol

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3D model Octadecyl vinyl ether, CAS 930-02-9, molecular formula C20H40O, molar mass 296.5 g/mol
About Octadecyl vinyl ether

Octadecyl vinyl ether is a chemical compound registered under number CAS 930-02-9, with the molecular formula C20H40O, and a molar mass of 296.5 g/mol.

The molecule contains 61 atoms connected by 60 chemical bonds. The full systematic IUPAC name of this compound is 1-ethenoxyoctadecane. 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 = 9.7 (positive value, a lipophilic compound), polar surface area PSA = 9.2 Ų, 0 donors and 1 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 formulaC20H40O
Molar mass296.5 g/mol
IUPAC1-ethenoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOC=C
InChIKeyQJJDJWUCRAPCOL-UHFFFAOYSA-N
logP (XLogP3)9.7
PSA9.2 Ų
HBD / HBA0 / 1
PubChem CIDCID 13585 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H317 — May cause an allergic skin reaction

Scientific literature

Related literature

1 articles · 0 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
Octadecyl vinyl ether · Vinyl octadecyl ether · 930-02-9 · Stearyl vinyl ether · Octadecane, 1-(ethenyloxy)- · n-octadecylvinylether · 1-(Vinyloxy)octadecane · Ether, octadecyl vinyl · Vinyl stearyl ether · 1-ethenoxyoctadecane · 1-(ETHENYLOXY)OCTADECANE · MFCD00026686 · 15102HDV20 · NSC-111998 · Vinyloctadecyl ether
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/13585
  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)
Octadecyl vinyl ether (CAS 930-02-9), C20H40O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG-STL-930-02-9-ENGRAVED · 653,164 △ · 31 MB · SHA-256 c60f67795a616ee3

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Octadecyl vinyl ether (CAS 930-02-9), C20H40O - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-930-02-9-NORMAL · 25,376 △ · 1 MB · SHA-256 09d3c28993cd015c

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Model
Octadecyl vinyl ether · 930-02-9
InChIKey
QJJDJWUCRAPCOL-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Octadecyl vinyl ether (CAS 930-02-9)
License & provenance record
Octadecyl vinyl ether (CAS 930-02-9) →
MolGod molecule record
Octadecyl vinyl ether →
Source data
PubChem CID 13585 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
09d3c28993cd015c1b837cc3a0f2c03a7aefd0e27c36df7f40663e14b6894406
MD5 (STL)
2473fe66e9a23277c830eec427b71e04
Model identifier
MG-STL-930-02-9
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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