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

C18H32O — CID 5367327

IUPAC(9E,12E,15E)-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-IUQGRGSQSA-N
MW264.45 g/mol
LogP5.57
Rot. Bonds13

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

(9E,12E,15E)-octadeca-9,12,15-trien-1-ol (PubChem CID 5367327) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (9E,12E,15E)-octadeca-9,12,15-trien-1-ol.

Molecular Properties

Compound Name(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
PubChem CID5367327
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(9E,12E,15E)-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-IUQGRGSQSA-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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Related Compounds

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(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
CID 160855326
pentadeca-6,9-dien-1-ol
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(7Z,10Z)-hexadeca-7,10-dien-1-ol
CID 129115258
(14Z,17Z,20Z,23Z,26Z,29Z)-3,3-dideuteriodotriaconta-14,17,20,23,26,29-hexaen-1-ol
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(14Z)-icosa-5,8,11,14-tetraen-1-ol
CID 175206596

Frequently Asked Questions

What is the IUPAC name of (9E,12E,15E)-octadeca-9,12,15-trien-1-ol?
The IUPAC name of (9E,12E,15E)-octadeca-9,12,15-trien-1-ol (CID 5367327) is (9E,12E,15E)-octadeca-9,12,15-trien-1-ol.
What is the SMILES notation for (9E,12E,15E)-octadeca-9,12,15-trien-1-ol?
The canonical SMILES for (9E,12E,15E)-octadeca-9,12,15-trien-1-ol is CC/C=C/C/C=C/C/C=C/CCCCCCCCO.
What is the InChIKey of (9E,12E,15E)-octadeca-9,12,15-trien-1-ol?
The InChIKey is IKYKEVDKGZYRMQ-IUQGRGSQSA-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 (9E,12E,15E)-octadeca-9,12,15-trien-1-ol?
(9E,12E,15E)-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 (9E,12E,15E)-octadeca-9,12,15-trien-1-ol is sourced from PubChem (CID 5367327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).