4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one

C11H18O — CID 86146285

IUPAC4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one
SMILESCC1(C)CC2C(CC1=O)C2(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-8-7(5-9(10)12)11(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyVCDRVVACPSZMTM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one

4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one (PubChem CID 86146285) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one.

Molecular Properties

Compound Name4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one
PubChem CID86146285
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one
SMILESCC1(C)CC2C(CC1=O)C2(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-8-7(5-9(10)12)11(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyVCDRVVACPSZMTM-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-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

[(1S,3R,6R)-3,7,7-trimethyl-4-oxo-3-bicyclo[4.1.0]heptanyl] acetate
CID 131865122
(1R,4R,6R)-4,7,7-trimethyl-4-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one
CID 174188241
3,3-dimethyl-4-oxocyclopentane-1-carboxylic acid
CID 567708
4-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentan-1-one
CID 130028968
(1R)-7,7-dimethyl-4-methylidenebicyclo[4.1.0]heptan-3-one
CID 22214560
(1R,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
CID 131020797
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-3-enyl)ethanone
CID 536539
(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475532
(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475535
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498764
(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
CID 14657545

Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one?
The IUPAC name of 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one (CID 86146285) is 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one.
What is the SMILES notation for 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one?
The canonical SMILES for 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one is CC1(C)CC2C(CC1=O)C2(C)C.
What is the InChIKey of 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one?
The InChIKey is VCDRVVACPSZMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)6-8-7(5-9(10)12)11(8,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one?
4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one has a molecular weight of 166.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one is sourced from PubChem (CID 86146285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).