octadec-4-en-1-ol

C18H36O — CID 54520029

IUPACoctadec-4-en-1-ol
SMILESCCCCCCCCCCCCCC=CCCCO
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h14-15,19H,2-13,16-18H2,1H3
InChIKeyQXTZXFKOYZQHCX-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.02
Rot. Bonds15

About octadec-4-en-1-ol

octadec-4-en-1-ol (PubChem CID 54520029) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is octadec-4-en-1-ol.

Molecular Properties

Compound Nameoctadec-4-en-1-ol
PubChem CID54520029
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Nameoctadec-4-en-1-ol
SMILESCCCCCCCCCCCCCC=CCCCO
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h14-15,19H,2-13,16-18H2,1H3
InChIKeyQXTZXFKOYZQHCX-UHFFFAOYSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.02
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 octadec-4-en-1-ol?
The IUPAC name of octadec-4-en-1-ol (CID 54520029) is octadec-4-en-1-ol.
What is the SMILES notation for octadec-4-en-1-ol?
The canonical SMILES for octadec-4-en-1-ol is CCCCCCCCCCCCCC=CCCCO.
What is the InChIKey of octadec-4-en-1-ol?
The InChIKey is QXTZXFKOYZQHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h14-15,19H,2-13,16-18H2,1H3.
What are the key properties of octadec-4-en-1-ol?
octadec-4-en-1-ol has a molecular weight of 268.48 g/mol, XLogP of 6.02, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-4-en-1-ol is sourced from PubChem (CID 54520029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).