(12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one

C13H16O2 — CID 162690505

IUPAC(12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one
SMILESO=C1CC/C=C\C2OC1C1C=CCCC21
InChIInChI=1S/C13H16O2/c14-11-7-3-4-8-12-9-5-1-2-6-10(9)13(11)15-12/h2,4,6,8-10,12-13H,1,3,5,7H2/b8-4-
InChIKeyCQPBTSVKCMWFHO-YWEYNIOJSA-N
MW204.27 g/mol
LogP2.26
Rot. Bonds

About (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one

(12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one (PubChem CID 162690505) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one.

Molecular Properties

Compound Name(12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one
PubChem CID162690505
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one
SMILESO=C1CC/C=C\C2OC1C1C=CCCC21
InChIInChI=1S/C13H16O2/c14-11-7-3-4-8-12-9-5-1-2-6-10(9)13(11)15-12/h2,4,6,8-10,12-13H,1,3,5,7H2/b8-4-
InChIKeyCQPBTSVKCMWFHO-YWEYNIOJSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-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 (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one?
The IUPAC name of (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one (CID 162690505) is (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one.
What is the SMILES notation for (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one?
The canonical SMILES for (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one is O=C1CC/C=C\C2OC1C1C=CCCC21.
What is the InChIKey of (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one?
The InChIKey is CQPBTSVKCMWFHO-YWEYNIOJSA-N. The full InChI is InChI=1S/C13H16O2/c14-11-7-3-4-8-12-9-5-1-2-6-10(9)13(11)15-12/h2,4,6,8-10,12-13H,1,3,5,7H2/b8-4-.
What are the key properties of (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one?
(12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one has a molecular weight of 204.27 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-5,12-dien-9-one is sourced from PubChem (CID 162690505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).