2-[(E)-octadec-9-enoxy]ethanol

C20H40O2 — CID 5367702

IUPAC2-[(E)-octadec-9-enoxy]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCCOCCO
InChIInChI=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/b10-9+
InChIKeyKWVPFECTOKLOBL-MDZDMXLPSA-N
MW312.54 g/mol
LogP6.03
Rot. Bonds18

About 2-[(E)-octadec-9-enoxy]ethanol

2-[(E)-octadec-9-enoxy]ethanol (PubChem CID 5367702) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-[(E)-octadec-9-enoxy]ethanol.

Molecular Properties

Compound Name2-[(E)-octadec-9-enoxy]ethanol
PubChem CID5367702
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2-[(E)-octadec-9-enoxy]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCCOCCO
InChIInChI=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/b10-9+
InChIKeyKWVPFECTOKLOBL-MDZDMXLPSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
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

Oleyl Alcohol
CID 5284499
Virelure
CID 5283305
Selachyl alcohol
CID 5282282
Linoleyl alcohol
CID 5365682
Linolenyl alcohol
CID 6436081
Oleth-2
CID 13387455
(Z)-11-Eicosen-1-ol
CID 9900830
(Z)-Hexadec-9-en-1-ol
CID 5367661
Elaidic alcohol
CID 5367665
(E)-11-Hexadecen-1-ol
CID 5352278
9-Octadecen-1-ol
CID 8927
Npc34973
CID 5462912

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-octadec-9-enoxy]ethanol?
The IUPAC name of 2-[(E)-octadec-9-enoxy]ethanol (CID 5367702) is 2-[(E)-octadec-9-enoxy]ethanol.
What is the SMILES notation for 2-[(E)-octadec-9-enoxy]ethanol?
The canonical SMILES for 2-[(E)-octadec-9-enoxy]ethanol is CCCCCCCC/C=C/CCCCCCCCOCCO.
What is the InChIKey of 2-[(E)-octadec-9-enoxy]ethanol?
The InChIKey is KWVPFECTOKLOBL-MDZDMXLPSA-N. The full InChI is 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/b10-9+.
What are the key properties of 2-[(E)-octadec-9-enoxy]ethanol?
2-[(E)-octadec-9-enoxy]ethanol has a molecular weight of 312.54 g/mol, XLogP of 6.03, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-octadec-9-enoxy]ethanol is sourced from PubChem (CID 5367702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).