(10Z)-1-oxacyclotridec-10-en-2-one

C12H20O2 — CID 10878079

IUPAC(10Z)-1-oxacyclotridec-10-en-2-one
SMILESO=C1CCCCCCC/C=C\CCO1
InChIInChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5-
InChIKeyFZKPUQQWULXMCD-ALCCZGGFSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds

About (10Z)-1-oxacyclotridec-10-en-2-one

(10Z)-1-oxacyclotridec-10-en-2-one (PubChem CID 10878079) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (10Z)-1-oxacyclotridec-10-en-2-one.

Molecular Properties

Compound Name(10Z)-1-oxacyclotridec-10-en-2-one
PubChem CID10878079
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(10Z)-1-oxacyclotridec-10-en-2-one
SMILESO=C1CCCCCCC/C=C\CCO1
InChIInChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5-
InChIKeyFZKPUQQWULXMCD-ALCCZGGFSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (10Z)-1-oxacyclotridec-10-en-2-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 (10Z)-1-oxacyclotridec-10-en-2-one?
The IUPAC name of (10Z)-1-oxacyclotridec-10-en-2-one (CID 10878079) is (10Z)-1-oxacyclotridec-10-en-2-one.
What is the SMILES notation for (10Z)-1-oxacyclotridec-10-en-2-one?
The canonical SMILES for (10Z)-1-oxacyclotridec-10-en-2-one is O=C1CCCCCCC/C=C\CCO1.
What is the InChIKey of (10Z)-1-oxacyclotridec-10-en-2-one?
The InChIKey is FZKPUQQWULXMCD-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5-.
What are the key properties of (10Z)-1-oxacyclotridec-10-en-2-one?
(10Z)-1-oxacyclotridec-10-en-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-1-oxacyclotridec-10-en-2-one is sourced from PubChem (CID 10878079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).