octadeca-2,3-dien-1-ol

C18H34O — CID 138969077

IUPACoctadeca-2,3-dien-1-ol
SMILESCCCCCCCCCCCCCCC=C=CCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15,17,19H,2-14,18H2,1H3
InChIKeyCAJARABVGPNWAH-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.78
Rot. Bonds14

About octadeca-2,3-dien-1-ol

octadeca-2,3-dien-1-ol (PubChem CID 138969077) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is octadeca-2,3-dien-1-ol.

Molecular Properties

Compound Nameoctadeca-2,3-dien-1-ol
PubChem CID138969077
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Nameoctadeca-2,3-dien-1-ol
SMILESCCCCCCCCCCCCCCC=C=CCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15,17,19H,2-14,18H2,1H3
InChIKeyCAJARABVGPNWAH-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
dodeca-3,4-diene
CID 91492112
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
pentadeca-1,4,5-triene
CID 174394424
heptatriaconta-15,18,19-triene
CID 57100861
dodeca-4,5-dienenitrile
CID 121006720
2,2-dimethyltrideca-3,4-diene
CID 134994881
dodeca-2,3-dienal
CID 11810769
tetradeca-2,3-dienal
CID 25179784
pentacosa-2,3-dienenitrile
CID 175148775
ethyl trideca-3,4-dienoate
CID 24976454

Frequently Asked Questions

What is the IUPAC name of octadeca-2,3-dien-1-ol?
The IUPAC name of octadeca-2,3-dien-1-ol (CID 138969077) is octadeca-2,3-dien-1-ol.
What is the SMILES notation for octadeca-2,3-dien-1-ol?
The canonical SMILES for octadeca-2,3-dien-1-ol is CCCCCCCCCCCCCCC=C=CCO.
What is the InChIKey of octadeca-2,3-dien-1-ol?
The InChIKey is CAJARABVGPNWAH-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/h15,17,19H,2-14,18H2,1H3.
What are the key properties of octadeca-2,3-dien-1-ol?
octadeca-2,3-dien-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.78, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-2,3-dien-1-ol is sourced from PubChem (CID 138969077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).