3,7-dimethylbicyclo[3.3.1]nonan-9-one

C11H18O — CID 101110552

IUPAC3,7-dimethylbicyclo[3.3.1]nonan-9-one
SMILESCC1CC2CC(C)CC(C1)C2=O
InChIInChI=1S/C11H18O/c1-7-3-9-5-8(2)6-10(4-7)11(9)12/h7-10H,3-6H2,1-2H3
InChIKeyVCVQBHFXOQAYDP-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About 3,7-dimethylbicyclo[3.3.1]nonan-9-one

3,7-dimethylbicyclo[3.3.1]nonan-9-one (PubChem CID 101110552) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,7-dimethylbicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3,7-dimethylbicyclo[3.3.1]nonan-9-one
PubChem CID101110552
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,7-dimethylbicyclo[3.3.1]nonan-9-one
SMILESCC1CC2CC(C)CC(C1)C2=O
InChIInChI=1S/C11H18O/c1-7-3-9-5-8(2)6-10(4-7)11(9)12/h7-10H,3-6H2,1-2H3
InChIKeyVCVQBHFXOQAYDP-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

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Related Compounds

bicyclo[1.1.1]pentan-2-one
CID 13356641
5-methyl-3-azabicyclo[5.2.1]decan-10-one
CID 143710984
3-methyl-6-oxabicyclo[3.2.2]nonan-7-one
CID 123684123
3-methyl-8-methylidenebicyclo[3.2.1]octane
CID 90879881
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione
CID 78226067
(1S,6S)-tricyclo[2.2.1.02,6]heptan-3-one
CID 6994514
3-methyl-1-azabicyclo[3.2.1]octan-6-one
CID 130028074
trans-(2S,6S)-2-(hydroxymethyl)-4,6-dimethylcyclohexan-1-one
CID 67149597
(1S,5S)-3-azabicyclo[3.1.1]heptan-6-one
CID 98137974
3-methyl-7-oxabicyclo[4.2.1]nonan-8-one
CID 123527632
4-(methylamino)adamantane-2,6-dione
CID 551123
(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
CID 10654444

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylbicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3,7-dimethylbicyclo[3.3.1]nonan-9-one (CID 101110552) is 3,7-dimethylbicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3,7-dimethylbicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3,7-dimethylbicyclo[3.3.1]nonan-9-one is CC1CC2CC(C)CC(C1)C2=O.
What is the InChIKey of 3,7-dimethylbicyclo[3.3.1]nonan-9-one?
The InChIKey is VCVQBHFXOQAYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-3-9-5-8(2)6-10(4-7)11(9)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 3,7-dimethylbicyclo[3.3.1]nonan-9-one?
3,7-dimethylbicyclo[3.3.1]nonan-9-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 3,7-dimethylbicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 101110552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).