6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one

C12H16O — CID 130038331

IUPAC6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one
SMILESCC1=CCC2C3C(=O)CCC2(C)C13
InChIInChI=1S/C12H16O/c1-7-3-4-8-10-9(13)5-6-12(8,2)11(7)10/h3,8,10-11H,4-6H2,1-2H3
InChIKeySUQKWTHDSXZDIP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.57
Rot. Bonds

About 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one

6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one (PubChem CID 130038331) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one.

Molecular Properties

Compound Name6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one
PubChem CID130038331
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one
SMILESCC1=CCC2C3C(=O)CCC2(C)C13
InChIInChI=1S/C12H16O/c1-7-3-4-8-10-9(13)5-6-12(8,2)11(7)10/h3,8,10-11H,4-6H2,1-2H3
InChIKeySUQKWTHDSXZDIP-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 25245021
(2R,6R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 163187113
(3aS,6aS)-3,3,6-trimethyl-2,3a,4,6a-tetrahydropentalen-1-one
CID 95565198
(3aS,7S,7aR)-3a,6,7-trimethyl-3,4,7,7a-tetrahydro-2H-inden-1-one
CID 134992312
acetic acid;(1S,5R,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 71366452
acetic acid;2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 53446902
4,4,6-trimethyl-2,3,4a,5,8,8a-hexahydronaphthalen-1-one;4,4,7-trimethyl-2,3,4a,5,8,8a-hexahydronaphthalen-1-one
CID 159762121
(2S,6S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene;(2S,6S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 165035030
[(1S,5R,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl] 2-methylpropanoate
CID 162843176
6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one
CID 573500
7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-1H-phenanthren-2-one
CID 162848532
(6,6-dimethyl-9-oxo-1,3,5,5a,7,8,9a,9b-octahydrobenzo[g][2]benzofuran-1-yl) formate
CID 14433042

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one?
The IUPAC name of 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one (CID 130038331) is 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one.
What is the SMILES notation for 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one?
The canonical SMILES for 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one is CC1=CCC2C3C(=O)CCC2(C)C13.
What is the InChIKey of 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one?
The InChIKey is SUQKWTHDSXZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-7-3-4-8-10-9(13)5-6-12(8,2)11(7)10/h3,8,10-11H,4-6H2,1-2H3.
What are the key properties of 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one?
6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one has a molecular weight of 176.26 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one is sourced from PubChem (CID 130038331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).