8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one

C15H22O — CID 74819442

IUPAC8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
SMILESCC1=CCCC(=O)C=CC2C(CC1)C2(C)C
InChIInChI=1S/C15H22O/c1-11-5-4-6-12(16)8-10-14-13(9-7-11)15(14,2)3/h5,8,10,13-14H,4,6-7,9H2,1-3H3
InChIKeyWCZCSOXIWRFHNZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds

About 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one

8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one (PubChem CID 74819442) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one.

Molecular Properties

Compound Name8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
PubChem CID74819442
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
SMILESCC1=CCCC(=O)C=CC2C(CC1)C2(C)C
InChIInChI=1S/C15H22O/c1-11-5-4-6-12(16)8-10-14-13(9-7-11)15(14,2)3/h5,8,10,13-14H,4,6-7,9H2,1-3H3
InChIKeyWCZCSOXIWRFHNZ-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(1R,7S)-8,8-dimethylbicyclo[5.1.0]oct-2-en-4-one
CID 12835791
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-4,5-dione
CID 54030088
(1R,9E,13S)-6,10,14,14-tetramethyl-3-oxabicyclo[11.1.0]tetradeca-5,9-dien-2-one
CID 42619119
6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
CID 4033896
(1R,2Z,6E,10E,14S)-4-hydroxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde
CID 10638118
3,3,6-trimethyl-10-methylidene-3a,4,5,8,9,10a-hexahydrocyclonona[b]furan-2-one
CID 162932484
(3aS,6E,10aS)-3,3,6-trimethyl-10-methylidene-3a,4,5,8,9,10a-hexahydrocyclonona[b]furan-2-one
CID 101317804
(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol
CID 162866573
(2E,6Z)-2,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 91749786
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
(1R,2R,6E,10R)-7,11,11-trimethyl-3-methylidenebicyclo[8.1.0]undec-6-en-2-ol
CID 14607006

Frequently Asked Questions

What is the IUPAC name of 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one?
The IUPAC name of 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one (CID 74819442) is 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one.
What is the SMILES notation for 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one?
The canonical SMILES for 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one is CC1=CCCC(=O)C=CC2C(CC1)C2(C)C.
What is the InChIKey of 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one?
The InChIKey is WCZCSOXIWRFHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-5-4-6-12(16)8-10-14-13(9-7-11)15(14,2)3/h5,8,10,13-14H,4,6-7,9H2,1-3H3.
What are the key properties of 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one?
8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one has a molecular weight of 218.34 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one is sourced from PubChem (CID 74819442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).