2-(9-Octadecenyloxy)ethanol
PubChem CID
21452
Structure
Molecular Formula
Synonyms
- 2-(9-Octadecenyloxy)ethanol
- DTXSID20860047
- 2-[(Octadec-9-en-1-yl)oxy]ethan-1-ol
- NS00092851
Molecular Weight
312.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-11
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
2-octadec-9-enoxyethanol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
KWVPFECTOKLOBL-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCCC=CCCCCCCCCOCCO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C20H40O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Compound: Polyethylene glycol monooleyl ether
Compound: Poly(oxy-1,2-ethanediyl), α-9-octadecen-1-yl-ω-hydroxy-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
312.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
7.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
18
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
312.302830514 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
312.302830514 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
29.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
214
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
0
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
1
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 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-(9-Octadecen-1-yloxy)ethanolhttps://commonchemistry.cas.org/detail?cas_rn=94677-31-3Polyethylene glycol monooleyl etherhttps://commonchemistry.cas.org/detail?cas_rn=9004-98-2Poly(oxy-1,2-ethanediyl), α-9-octadecen-1-yl-ω-hydroxy-https://commonchemistry.cas.org/detail?cas_rn=25190-05-0
- EPA DSSTox2-[(Octadec-9-en-1-yl)oxy]ethan-1-olhttps://comptox.epa.gov/dashboard/DTXSID20860047
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing
- Springer Nature
- Wikidata2-(9-Octadecenyloxy)ethanolhttps://www.wikidata.org/wiki/Q126677875
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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