(1E)-octadeca-1,11-dien-1-ol

C18H34O — CID 138611647

IUPAC(1E)-octadeca-1,11-dien-1-ol
SMILESCCCCCCC=CCCCCCCCC/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/h7-8,17-19H,2-6,9-16H2,1H3/b8-7?,18-17+
InChIKeyGIQWEICRHQWLGD-OFMBTNGCSA-N
MW266.47 g/mol
LogP6.71
Rot. Bonds14

About (1E)-octadeca-1,11-dien-1-ol

(1E)-octadeca-1,11-dien-1-ol (PubChem CID 138611647) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (1E)-octadeca-1,11-dien-1-ol.

Molecular Properties

Compound Name(1E)-octadeca-1,11-dien-1-ol
PubChem CID138611647
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(1E)-octadeca-1,11-dien-1-ol
SMILESCCCCCCC=CCCCCCCCC/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/h7-8,17-19H,2-6,9-16H2,1H3/b8-7?,18-17+
InChIKeyGIQWEICRHQWLGD-OFMBTNGCSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
(E)-pentacos-1-en-1-ol
CID 135335589
(Z)-pentadec-1-en-1-ol
CID 135331786
octadeca-1,13-dien-1-ol
CID 173121354
acetic acid;tetracos-1-en-1-ol
CID 71418206
acetic acid;hexadec-1-en-1-ol
CID 71357658
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of (1E)-octadeca-1,11-dien-1-ol?
The IUPAC name of (1E)-octadeca-1,11-dien-1-ol (CID 138611647) is (1E)-octadeca-1,11-dien-1-ol.
What is the SMILES notation for (1E)-octadeca-1,11-dien-1-ol?
The canonical SMILES for (1E)-octadeca-1,11-dien-1-ol is CCCCCCC=CCCCCCCCC/C=C/O.
What is the InChIKey of (1E)-octadeca-1,11-dien-1-ol?
The InChIKey is GIQWEICRHQWLGD-OFMBTNGCSA-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/h7-8,17-19H,2-6,9-16H2,1H3/b8-7?,18-17+.
What are the key properties of (1E)-octadeca-1,11-dien-1-ol?
(1E)-octadeca-1,11-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)-octadeca-1,11-dien-1-ol is sourced from PubChem (CID 138611647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).