octadec-6-en-5-ol

C18H36O — CID 57128967

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

About octadec-6-en-5-ol

octadec-6-en-5-ol (PubChem CID 57128967) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is octadec-6-en-5-ol.

Molecular Properties

Compound Nameoctadec-6-en-5-ol
PubChem CID57128967
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Nameoctadec-6-en-5-ol
SMILESCCCCCCCCCCCC=CC(O)CCCC
InChIInChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h15,17-19H,3-14,16H2,1-2H3
InChIKeyKGMZHYFEPXCLEC-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-6-en-5-ol?
The IUPAC name of octadec-6-en-5-ol (CID 57128967) is octadec-6-en-5-ol.
What is the SMILES notation for octadec-6-en-5-ol?
The canonical SMILES for octadec-6-en-5-ol is CCCCCCCCCCCC=CC(O)CCCC.
What is the InChIKey of octadec-6-en-5-ol?
The InChIKey is KGMZHYFEPXCLEC-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/h15,17-19H,3-14,16H2,1-2H3.
What are the key properties of octadec-6-en-5-ol?
octadec-6-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-6-en-5-ol is sourced from PubChem (CID 57128967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).