(E)-octadec-2-en-1-ol

C18H36O — CID 5364416

IUPAC(E)-octadec-2-en-1-ol
SMILESCCCCCCCCCCCCCCC/C=C/CO
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h16-17,19H,2-15,18H2,1H3/b17-16+
InChIKeyNMNAESABLXLQEY-WUKNDPDISA-N
MW268.48 g/mol
LogP6.02
Rot. Bonds15

About (E)-octadec-2-en-1-ol

(E)-octadec-2-en-1-ol (PubChem CID 5364416) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (E)-octadec-2-en-1-ol.

Molecular Properties

Compound Name(E)-octadec-2-en-1-ol
PubChem CID5364416
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(E)-octadec-2-en-1-ol
SMILESCCCCCCCCCCCCCCC/C=C/CO
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h16-17,19H,2-15,18H2,1H3/b17-16+
InChIKeyNMNAESABLXLQEY-WUKNDPDISA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-octadec-2-en-1-ol?
The IUPAC name of (E)-octadec-2-en-1-ol (CID 5364416) is (E)-octadec-2-en-1-ol.
What is the SMILES notation for (E)-octadec-2-en-1-ol?
The canonical SMILES for (E)-octadec-2-en-1-ol is CCCCCCCCCCCCCCC/C=C/CO.
What is the InChIKey of (E)-octadec-2-en-1-ol?
The InChIKey is NMNAESABLXLQEY-WUKNDPDISA-N. The full InChI is InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h16-17,19H,2-15,18H2,1H3/b17-16+.
What are the key properties of (E)-octadec-2-en-1-ol?
(E)-octadec-2-en-1-ol has a molecular weight of 268.48 g/mol, XLogP of 6.02, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-2-en-1-ol is sourced from PubChem (CID 5364416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).