6,6-dimethylbicyclo[3.1.0]hexan-2-one

C8H12O — CID 12740328

IUPAC6,6-dimethylbicyclo[3.1.0]hexan-2-one
SMILESCC1(C)C2CCC(=O)C21
InChIInChI=1S/C8H12O/c1-8(2)5-3-4-6(9)7(5)8/h5,7H,3-4H2,1-2H3
InChIKeyZRKSYTSBZMCHBI-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.62
Rot. Bonds

About 6,6-dimethylbicyclo[3.1.0]hexan-2-one

6,6-dimethylbicyclo[3.1.0]hexan-2-one (PubChem CID 12740328) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 6,6-dimethylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6,6-dimethylbicyclo[3.1.0]hexan-2-one
PubChem CID12740328
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name6,6-dimethylbicyclo[3.1.0]hexan-2-one
SMILESCC1(C)C2CCC(=O)C21
InChIInChI=1S/C8H12O/c1-8(2)5-3-4-6(9)7(5)8/h5,7H,3-4H2,1-2H3
InChIKeyZRKSYTSBZMCHBI-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,6S)-7,7-dimethylbicyclo[4.1.0]heptan-2-one
CID 100979863
(1S,5S,6S)-6-chloro-6-methylbicyclo[3.1.0]hexan-2-one
CID 124748765
(1R,3R,7R,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undecane-2,6-dione
CID 7103251
3,8,8-trimethylbicyclo[5.1.0]octan-4-one
CID 165074631
1,1,2,3,3-pentamethyl-3a,6,7,7a-tetrahydro-2H-indene-4,5-dione
CID 70926475
4,7,7-trimethylbicyclo[4.1.0]heptan-2-one
CID 85303553
(6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde
CID 88950630
(1S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 58065052
(1aR,3aS,7aS,7bR)-1,1,3a-trimethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalene-4,7-dione
CID 15385781
(1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene
CID 162893528
(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
CID 130756032
(3aS,6aR)-3,3-dimethyl-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-one
CID 71402225

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6,6-dimethylbicyclo[3.1.0]hexan-2-one (CID 12740328) is 6,6-dimethylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6,6-dimethylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6,6-dimethylbicyclo[3.1.0]hexan-2-one is CC1(C)C2CCC(=O)C21.
What is the InChIKey of 6,6-dimethylbicyclo[3.1.0]hexan-2-one?
The InChIKey is ZRKSYTSBZMCHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-8(2)5-3-4-6(9)7(5)8/h5,7H,3-4H2,1-2H3.
What are the key properties of 6,6-dimethylbicyclo[3.1.0]hexan-2-one?
6,6-dimethylbicyclo[3.1.0]hexan-2-one has a molecular weight of 124.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 12740328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).