(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol

C18H32O — CID 6436081

IUPAC(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCO
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChIKeyIKYKEVDKGZYRMQ-PDBXOOCHSA-N
MW264.45 g/mol
LogP5.57
Rot. Bonds13

About (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol

(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol (PubChem CID 6436081) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol.

Molecular Properties

Compound Name(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol
PubChem CID6436081
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCO
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChIKeyIKYKEVDKGZYRMQ-PDBXOOCHSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.57
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 (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol?
The IUPAC name of (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol (CID 6436081) is (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol.
What is the SMILES notation for (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol?
The canonical SMILES for (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol is CC/C=C\C/C=C\C/C=C\CCCCCCCCO.
What is the InChIKey of (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol?
The InChIKey is IKYKEVDKGZYRMQ-PDBXOOCHSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-.
What are the key properties of (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol?
(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol has a molecular weight of 264.45 g/mol, XLogP of 5.57, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol is sourced from PubChem (CID 6436081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).