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

C18H34O — CID 5283306

IUPAC(2E,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-RAPDCGKPSA-N
MW266.47 g/mol
LogP5.79
Rot. Bonds14

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

(2E,13Z)-octadeca-2,13-dien-1-ol (PubChem CID 5283306) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (2E,13Z)-octadeca-2,13-dien-1-ol.

Molecular Properties

Compound Name(2E,13Z)-octadeca-2,13-dien-1-ol
PubChem CID5283306
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(2E,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-RAPDCGKPSA-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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Related Compounds

octadeca-2,13-dien-1-ol
CID 543270
(E)-nonadec-2-en-1-ol
CID 10869774
(11Z)-icosa-2,11-dien-1-ol
CID 173009253
(E)-undec-2-en-1-ol
CID 5365004
(2E,6E,10E)-tricosa-2,6,10-trien-1-ol
CID 11461788
acetic acid;(Z)-octadec-2-en-1-ol
CID 175144339
(E)-heptadec-12-en-1-ol
CID 87814318
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
(Z)-but-2-enedioic acid;dec-2-en-1-ol
CID 174232749
heptadeca-5,9-diene
CID 123203573
(5E,9E)-nonacosa-5,9-diene
CID 56936191

Frequently Asked Questions

What is the IUPAC name of (2E,13Z)-octadeca-2,13-dien-1-ol?
The IUPAC name of (2E,13Z)-octadeca-2,13-dien-1-ol (CID 5283306) is (2E,13Z)-octadeca-2,13-dien-1-ol.
What is the SMILES notation for (2E,13Z)-octadeca-2,13-dien-1-ol?
The canonical SMILES for (2E,13Z)-octadeca-2,13-dien-1-ol is CCCC/C=C\CCCCCCCCC/C=C/CO.
What is the InChIKey of (2E,13Z)-octadeca-2,13-dien-1-ol?
The InChIKey is YCOMGIOWVNOOBC-RAPDCGKPSA-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 (2E,13Z)-octadeca-2,13-dien-1-ol?
(2E,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 (2E,13Z)-octadeca-2,13-dien-1-ol is sourced from PubChem (CID 5283306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).