octadeca-3,13-dien-1-ol

C18H34O — CID 543438

IUPACoctadeca-3,13-dien-1-ol
SMILESCCCCC=CCCCCCCCCC=CCCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,19H,2-4,7-14,17-18H2,1H3
InChIKeyQBNCGBJHGBGHLS-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.79
Rot. Bonds14

About octadeca-3,13-dien-1-ol

octadeca-3,13-dien-1-ol (PubChem CID 543438) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is octadeca-3,13-dien-1-ol.

Molecular Properties

Compound Nameoctadeca-3,13-dien-1-ol
PubChem CID543438
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Nameoctadeca-3,13-dien-1-ol
SMILESCCCCC=CCCCCCCCCC=CCCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,19H,2-4,7-14,17-18H2,1H3
InChIKeyQBNCGBJHGBGHLS-UHFFFAOYSA-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 octadeca-3,13-dien-1-ol?
The IUPAC name of octadeca-3,13-dien-1-ol (CID 543438) is octadeca-3,13-dien-1-ol.
What is the SMILES notation for octadeca-3,13-dien-1-ol?
The canonical SMILES for octadeca-3,13-dien-1-ol is CCCCC=CCCCCCCCCC=CCCO.
What is the InChIKey of octadeca-3,13-dien-1-ol?
The InChIKey is QBNCGBJHGBGHLS-UHFFFAOYSA-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/h5-6,15-16,19H,2-4,7-14,17-18H2,1H3.
What are the key properties of octadeca-3,13-dien-1-ol?
octadeca-3,13-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 octadeca-3,13-dien-1-ol is sourced from PubChem (CID 543438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).