9,10-Epoxy-1-octadecanol acetate
PubChem CID
14574038
Structure
Molecular Formula
Synonyms
- 9,10-Epoxy-1-octadecanol acetate
- Oxiraneoctanol, 3-octyl-, acetate
- 1-Octadecanol, 9,10-epoxy-, acetate
- .2-Oxiraneoctanol, 3-octyl-, 2-acetate
- 14235-43-9
Molecular Weight
326.5 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-09
- Modify:2025-01-04
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
8-(3-octyloxiran-2-yl)octyl acetate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C20H38O3/c1-3-4-5-6-9-12-15-19-20(23-19)16-13-10-7-8-11-14-17-22-18(2)21/h19-20H,3-17H2,1-2H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
FAPGZYWJMFBPEU-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCC1C(O1)CCCCCCCCOC(=O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C20H38O3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
14235-43-9
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
326.5 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
6.9
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
17
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
326.28209507 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
326.28209507 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
38.8 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
291
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=FAPGZYWJMFBPEU-UHFFFAOYSA-N
- ChemIDplus9,10-Epoxy-1-octadecanol acetatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0014235439ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking9,10-EPOXY-1-OCTADECANOL ACETATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/M45Y530269
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidata9,10-epoxy-1-octadecanol acetatehttps://www.wikidata.org/wiki/Q27283468
- PubChem
- PATENTSCOPE (WIPO)SID 388494137https://pubchem.ncbi.nlm.nih.gov/substance/388494137
CONTENTS