ethanol;octadec-9-en-1-ol

C20H42O2 — CID 173109565

IUPACethanol;octadec-9-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCO.CCO
InChIInChI=1S/C18H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3/h9-10,19H,2-8,11-18H2,1H3;3H,2H2,1H3
InChIKeyOMYHZSMFBGMXMV-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.01
Rot. Bonds15

About ethanol;octadec-9-en-1-ol

ethanol;octadec-9-en-1-ol (PubChem CID 173109565) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is ethanol;octadec-9-en-1-ol.

Molecular Properties

Compound Nameethanol;octadec-9-en-1-ol
PubChem CID173109565
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Nameethanol;octadec-9-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCO.CCO
InChIInChI=1S/C18H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3/h9-10,19H,2-8,11-18H2,1H3;3H,2H2,1H3
InChIKeyOMYHZSMFBGMXMV-UHFFFAOYSA-N
XLogP6.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-henicos-12-en-1-ol
CID 19702453
hexacos-17-en-1-ol
CID 139697197
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
(Z)-icos-9-en-1-ol;hydrate
CID 174442786
azane;(Z)-octadec-9-en-1-ol
CID 166664850

Frequently Asked Questions

What is the IUPAC name of ethanol;octadec-9-en-1-ol?
The IUPAC name of ethanol;octadec-9-en-1-ol (CID 173109565) is ethanol;octadec-9-en-1-ol.
What is the SMILES notation for ethanol;octadec-9-en-1-ol?
The canonical SMILES for ethanol;octadec-9-en-1-ol is CCCCCCCCC=CCCCCCCCCO.CCO.
What is the InChIKey of ethanol;octadec-9-en-1-ol?
The InChIKey is OMYHZSMFBGMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3/h9-10,19H,2-8,11-18H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;octadec-9-en-1-ol?
ethanol;octadec-9-en-1-ol has a molecular weight of 314.55 g/mol, XLogP of 6.01, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;octadec-9-en-1-ol is sourced from PubChem (CID 173109565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).