1-[(Z)-octadec-9-enoxy]ethanol

C20H40O2 — CID 87569250

IUPAC1-[(Z)-octadec-9-enoxy]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCOC(C)O
InChIInChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11,20-21H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyCSMKZYGKNOSHLX-KHPPLWFESA-N
MW312.54 g/mol
LogP6.38
Rot. Bonds17

About 1-[(Z)-octadec-9-enoxy]ethanol

1-[(Z)-octadec-9-enoxy]ethanol (PubChem CID 87569250) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-[(Z)-octadec-9-enoxy]ethanol.

Molecular Properties

Compound Name1-[(Z)-octadec-9-enoxy]ethanol
PubChem CID87569250
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1-[(Z)-octadec-9-enoxy]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCOC(C)O
InChIInChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11,20-21H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyCSMKZYGKNOSHLX-KHPPLWFESA-N
XLogP6.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-octadec-9-enoxy]ethanol?
The IUPAC name of 1-[(Z)-octadec-9-enoxy]ethanol (CID 87569250) is 1-[(Z)-octadec-9-enoxy]ethanol.
What is the SMILES notation for 1-[(Z)-octadec-9-enoxy]ethanol?
The canonical SMILES for 1-[(Z)-octadec-9-enoxy]ethanol is CCCCCCCC/C=C\CCCCCCCCOC(C)O.
What is the InChIKey of 1-[(Z)-octadec-9-enoxy]ethanol?
The InChIKey is CSMKZYGKNOSHLX-KHPPLWFESA-N. The full InChI is InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11,20-21H,3-9,12-19H2,1-2H3/b11-10-.
What are the key properties of 1-[(Z)-octadec-9-enoxy]ethanol?
1-[(Z)-octadec-9-enoxy]ethanol has a molecular weight of 312.54 g/mol, XLogP of 6.38, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-octadec-9-enoxy]ethanol is sourced from PubChem (CID 87569250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).