1-oxacyclohexadec-14-en-5-one

C15H26O2 — CID 91140502

IUPAC1-oxacyclohexadec-14-en-5-one
SMILESO=C1CCCCCCCCC=CCOCCC1
InChIInChI=1S/C15H26O2/c16-15-11-8-6-4-2-1-3-5-7-9-13-17-14-10-12-15/h7,9H,1-6,8,10-14H2
InChIKeySLSZCAKYUKCLEI-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.04
Rot. Bonds

About 1-oxacyclohexadec-14-en-5-one

1-oxacyclohexadec-14-en-5-one (PubChem CID 91140502) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-oxacyclohexadec-14-en-5-one.

Molecular Properties

Compound Name1-oxacyclohexadec-14-en-5-one
PubChem CID91140502
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-oxacyclohexadec-14-en-5-one
SMILESO=C1CCCCCCCCC=CCOCCC1
InChIInChI=1S/C15H26O2/c16-15-11-8-6-4-2-1-3-5-7-9-13-17-14-10-12-15/h7,9H,1-6,8,10-14H2
InChIKeySLSZCAKYUKCLEI-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-oxacyclohexadec-14-en-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxacyclohexadec-14-en-5-one?
The IUPAC name of 1-oxacyclohexadec-14-en-5-one (CID 91140502) is 1-oxacyclohexadec-14-en-5-one.
What is the SMILES notation for 1-oxacyclohexadec-14-en-5-one?
The canonical SMILES for 1-oxacyclohexadec-14-en-5-one is O=C1CCCCCCCCC=CCOCCC1.
What is the InChIKey of 1-oxacyclohexadec-14-en-5-one?
The InChIKey is SLSZCAKYUKCLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-15-11-8-6-4-2-1-3-5-7-9-13-17-14-10-12-15/h7,9H,1-6,8,10-14H2.
What are the key properties of 1-oxacyclohexadec-14-en-5-one?
1-oxacyclohexadec-14-en-5-one has a molecular weight of 238.37 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacyclohexadec-14-en-5-one is sourced from PubChem (CID 91140502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).