14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one

C16H24O — CID 67259243

IUPAC14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one
SMILESCC1CC(=O)C2=C(CCCCC=CCCC2)C1
InChIInChI=1S/C16H24O/c1-13-11-14-9-7-5-3-2-4-6-8-10-15(14)16(17)12-13/h2,4,13H,3,5-12H2,1H3
InChIKeyMVTLRRDJZKLXNN-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.58
Rot. Bonds

About 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one

14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one (PubChem CID 67259243) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one.

Molecular Properties

Compound Name14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one
PubChem CID67259243
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one
SMILESCC1CC(=O)C2=C(CCCCC=CCCC2)C1
InChIInChI=1S/C16H24O/c1-13-11-14-9-7-5-3-2-4-6-8-10-15(14)16(17)12-13/h2,4,13H,3,5-12H2,1H3
InChIKeyMVTLRRDJZKLXNN-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one?
The IUPAC name of 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one (CID 67259243) is 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one.
What is the SMILES notation for 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one?
The canonical SMILES for 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one is CC1CC(=O)C2=C(CCCCC=CCCC2)C1.
What is the InChIKey of 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one?
The InChIKey is MVTLRRDJZKLXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-13-11-14-9-7-5-3-2-4-6-8-10-15(14)16(17)12-13/h2,4,13H,3,5-12H2,1H3.
What are the key properties of 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one?
14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one has a molecular weight of 232.37 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one is sourced from PubChem (CID 67259243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).