octadec-3-en-5-ol

C18H36O — CID 144649733

IUPACoctadec-3-en-5-ol
SMILESCCC=CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h6,16,18-19H,3-5,7-15,17H2,1-2H3
InChIKeySXLXDXQMFSLGQH-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.01
Rot. Bonds14

About octadec-3-en-5-ol

octadec-3-en-5-ol (PubChem CID 144649733) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is octadec-3-en-5-ol.

Molecular Properties

Compound Nameoctadec-3-en-5-ol
PubChem CID144649733
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Nameoctadec-3-en-5-ol
SMILESCCC=CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h6,16,18-19H,3-5,7-15,17H2,1-2H3
InChIKeySXLXDXQMFSLGQH-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.01
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'}

Analyze octadec-3-en-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-non-3-en-5-ol
CID 18957163
henicos-7-en-6-ol
CID 91409967
(E)-non-2-ene-1,4-diol
CID 14106146
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(E,7R,11R)-heptadec-8-ene-7,11-diol
CID 101453637
(Z)-undec-2-en-4-ol
CID 14320443
heptadeca-9,11,14-trien-8-ol
CID 165117059
icosa-7,15-diene-6,9-diol
CID 57175111
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(E)-5-methyldodec-3-ene
CID 173194511

Frequently Asked Questions

What is the IUPAC name of octadec-3-en-5-ol?
The IUPAC name of octadec-3-en-5-ol (CID 144649733) is octadec-3-en-5-ol.
What is the SMILES notation for octadec-3-en-5-ol?
The canonical SMILES for octadec-3-en-5-ol is CCC=CC(O)CCCCCCCCCCCCC.
What is the InChIKey of octadec-3-en-5-ol?
The InChIKey is SXLXDXQMFSLGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h6,16,18-19H,3-5,7-15,17H2,1-2H3.
What are the key properties of octadec-3-en-5-ol?
octadec-3-en-5-ol has a molecular weight of 268.48 g/mol, XLogP of 6.01, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-3-en-5-ol is sourced from PubChem (CID 144649733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).