(11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one

C13H16O2 — CID 139612476

IUPAC(11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one
SMILESO=C1C/C=C\CC2OC1C1CC=CCC21
InChIInChI=1S/C13H16O2/c14-11-7-3-4-8-12-9-5-1-2-6-10(9)13(11)15-12/h1-4,9-10,12-13H,5-8H2/b4-3-
InChIKeyHLIHDIWVIGCKHJ-ARJAWSKDSA-N
MW204.27 g/mol
LogP2.26
Rot. Bonds

About (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one

(11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one (PubChem CID 139612476) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one.

Molecular Properties

Compound Name(11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one
PubChem CID139612476
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one
SMILESO=C1C/C=C\CC2OC1C1CC=CCC21
InChIInChI=1S/C13H16O2/c14-11-7-3-4-8-12-9-5-1-2-6-10(9)13(11)15-12/h1-4,9-10,12-13H,5-8H2/b4-3-
InChIKeyHLIHDIWVIGCKHJ-ARJAWSKDSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one?
The IUPAC name of (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one (CID 139612476) is (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one.
What is the SMILES notation for (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one?
The canonical SMILES for (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one is O=C1C/C=C\CC2OC1C1CC=CCC21.
What is the InChIKey of (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one?
The InChIKey is HLIHDIWVIGCKHJ-ARJAWSKDSA-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/h1-4,9-10,12-13H,5-8H2/b4-3-.
What are the key properties of (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one?
(11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-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 (11Z)-14-oxatricyclo[6.5.1.02,7]tetradeca-4,11-dien-9-one is sourced from PubChem (CID 139612476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).