(2Z,13Z)-octadeca-2,13-dien-1-ol

C18H34O — CID 5364463

IUPAC(2Z,13Z)-octadeca-2,13-dien-1-ol
SMILESCCCC/C=C\CCCCCCCCC/C=C\CO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5-,17-16-
InChIKeyYCOMGIOWVNOOBC-RACUUBEBSA-N
MW266.47 g/mol
LogP5.79
Rot. Bonds14

About (2Z,13Z)-octadeca-2,13-dien-1-ol

(2Z,13Z)-octadeca-2,13-dien-1-ol (PubChem CID 5364463) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (2Z,13Z)-octadeca-2,13-dien-1-ol.

Molecular Properties

Compound Name(2Z,13Z)-octadeca-2,13-dien-1-ol
PubChem CID5364463
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(2Z,13Z)-octadeca-2,13-dien-1-ol
SMILESCCCC/C=C\CCCCCCCCC/C=C\CO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5-,17-16-
InChIKeyYCOMGIOWVNOOBC-RACUUBEBSA-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 (2Z,13Z)-octadeca-2,13-dien-1-ol?
The IUPAC name of (2Z,13Z)-octadeca-2,13-dien-1-ol (CID 5364463) is (2Z,13Z)-octadeca-2,13-dien-1-ol.
What is the SMILES notation for (2Z,13Z)-octadeca-2,13-dien-1-ol?
The canonical SMILES for (2Z,13Z)-octadeca-2,13-dien-1-ol is CCCC/C=C\CCCCCCCCC/C=C\CO.
What is the InChIKey of (2Z,13Z)-octadeca-2,13-dien-1-ol?
The InChIKey is YCOMGIOWVNOOBC-RACUUBEBSA-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/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5-,17-16-.
What are the key properties of (2Z,13Z)-octadeca-2,13-dien-1-ol?
(2Z,13Z)-octadeca-2,13-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 (2Z,13Z)-octadeca-2,13-dien-1-ol is sourced from PubChem (CID 5364463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).