octadec-9-en-8-ol

C18H36O — CID 54312737

IUPACoctadec-9-en-8-ol
SMILESCCCCCCCCC=CC(O)CCCCCCC
InChIInChI=1S/C18H36O/c1-3-5-7-9-10-11-13-15-17-18(19)16-14-12-8-6-4-2/h15,17-19H,3-14,16H2,1-2H3
InChIKeySMAXPZPLXSIGLQ-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.01
Rot. Bonds14

About octadec-9-en-8-ol

octadec-9-en-8-ol (PubChem CID 54312737) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is octadec-9-en-8-ol.

Molecular Properties

Compound Nameoctadec-9-en-8-ol
PubChem CID54312737
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Nameoctadec-9-en-8-ol
SMILESCCCCCCCCC=CC(O)CCCCCCC
InChIInChI=1S/C18H36O/c1-3-5-7-9-10-11-13-15-17-18(19)16-14-12-8-6-4-2/h15,17-19H,3-14,16H2,1-2H3
InChIKeySMAXPZPLXSIGLQ-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'}

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Frequently Asked Questions

What is the IUPAC name of octadec-9-en-8-ol?
The IUPAC name of octadec-9-en-8-ol (CID 54312737) is octadec-9-en-8-ol.
What is the SMILES notation for octadec-9-en-8-ol?
The canonical SMILES for octadec-9-en-8-ol is CCCCCCCCC=CC(O)CCCCCCC.
What is the InChIKey of octadec-9-en-8-ol?
The InChIKey is SMAXPZPLXSIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-3-5-7-9-10-11-13-15-17-18(19)16-14-12-8-6-4-2/h15,17-19H,3-14,16H2,1-2H3.
What are the key properties of octadec-9-en-8-ol?
octadec-9-en-8-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-9-en-8-ol is sourced from PubChem (CID 54312737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).