(1E,3E)-octadeca-1,3-dien-1-ol

C18H34O — CID 18319160

IUPAC(1E,3E)-octadeca-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCC/C=C/C=C/O
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-19H,2-14H2,1H3/b16-15+,18-17+
InChIKeyYQBBOKLKQHKPIW-GKIXDJALSA-N
MW266.47 g/mol
LogP6.71
Rot. Bonds14

About (1E,3E)-octadeca-1,3-dien-1-ol

(1E,3E)-octadeca-1,3-dien-1-ol (PubChem CID 18319160) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (1E,3E)-octadeca-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3E)-octadeca-1,3-dien-1-ol
PubChem CID18319160
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(1E,3E)-octadeca-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCC/C=C/C=C/O
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-19H,2-14H2,1H3/b16-15+,18-17+
InChIKeyYQBBOKLKQHKPIW-GKIXDJALSA-N
XLogP6.71
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 ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-octadeca-1,3-dien-1-ol?
The IUPAC name of (1E,3E)-octadeca-1,3-dien-1-ol (CID 18319160) is (1E,3E)-octadeca-1,3-dien-1-ol.
What is the SMILES notation for (1E,3E)-octadeca-1,3-dien-1-ol?
The canonical SMILES for (1E,3E)-octadeca-1,3-dien-1-ol is CCCCCCCCCCCCCC/C=C/C=C/O.
What is the InChIKey of (1E,3E)-octadeca-1,3-dien-1-ol?
The InChIKey is YQBBOKLKQHKPIW-GKIXDJALSA-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/h15-19H,2-14H2,1H3/b16-15+,18-17+.
What are the key properties of (1E,3E)-octadeca-1,3-dien-1-ol?
(1E,3E)-octadeca-1,3-dien-1-ol has a molecular weight of 266.47 g/mol, XLogP of 6.71, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-octadeca-1,3-dien-1-ol is sourced from PubChem (CID 18319160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).