(9E,12E)-octadeca-9,12-dien-1-ol

C18H34O — CID 5462912

IUPAC(9E,12E)-octadeca-9,12-dien-1-ol
SMILESCCCCC/C=C/C/C=C/CCCCCCCCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6+,10-9+
InChIKeyJXNPEDYJTDQORS-AVQMFFATSA-N
MW266.47 g/mol
LogP5.79
Rot. Bonds14

About (9E,12E)-octadeca-9,12-dien-1-ol

(9E,12E)-octadeca-9,12-dien-1-ol (PubChem CID 5462912) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (9E,12E)-octadeca-9,12-dien-1-ol.

Molecular Properties

Compound Name(9E,12E)-octadeca-9,12-dien-1-ol
PubChem CID5462912
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(9E,12E)-octadeca-9,12-dien-1-ol
SMILESCCCCC/C=C/C/C=C/CCCCCCCCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6+,10-9+
InChIKeyJXNPEDYJTDQORS-AVQMFFATSA-N
XLogP5.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.79
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 (9E,12E)-octadeca-9,12-dien-1-ol?
The IUPAC name of (9E,12E)-octadeca-9,12-dien-1-ol (CID 5462912) is (9E,12E)-octadeca-9,12-dien-1-ol.
What is the SMILES notation for (9E,12E)-octadeca-9,12-dien-1-ol?
The canonical SMILES for (9E,12E)-octadeca-9,12-dien-1-ol is CCCCC/C=C/C/C=C/CCCCCCCCO.
What is the InChIKey of (9E,12E)-octadeca-9,12-dien-1-ol?
The InChIKey is JXNPEDYJTDQORS-AVQMFFATSA-N. The full InChI is InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6+,10-9+.
What are the key properties of (9E,12E)-octadeca-9,12-dien-1-ol?
(9E,12E)-octadeca-9,12-dien-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.79, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E)-octadeca-9,12-dien-1-ol is sourced from PubChem (CID 5462912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).