2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one

C11H16O — CID 59412251

IUPAC2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one
SMILESCC1C2C3CCC(CC3=O)C12C
InChIInChI=1S/C11H16O/c1-6-10-8-4-3-7(5-9(8)12)11(6,10)2/h6-8,10H,3-5H2,1-2H3
InChIKeyZUGIOEDJTCECML-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds

About 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one

2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one (PubChem CID 59412251) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one.

Molecular Properties

Compound Name2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one
PubChem CID59412251
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one
SMILESCC1C2C3CCC(CC3=O)C12C
InChIInChI=1S/C11H16O/c1-6-10-8-4-3-7(5-9(8)12)11(6,10)2/h6-8,10H,3-5H2,1-2H3
InChIKeyZUGIOEDJTCECML-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4,4,6-trimethylbicyclo[3.2.0]heptan-2-one
CID 130037421
2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 11038
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 122598312
(1S,4S,5R,6S)-5-methyl-5-phenyl-6-(prop-2-enylamino)bicyclo[2.2.2]octan-2-one
CID 46854328
1,8-dimethylbicyclo[2.2.2]octane-2,5-dione
CID 15113068
(2S,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one
CID 11860579
1,2,17-trihydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 21015402
17-(hydroxymethyl)-2,10,17-trimethyl-1,2,4,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163179103
(1S,5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 11869653

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one?
The IUPAC name of 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one (CID 59412251) is 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one.
What is the SMILES notation for 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one?
The canonical SMILES for 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one is CC1C2C3CCC(CC3=O)C12C.
What is the InChIKey of 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one?
The InChIKey is ZUGIOEDJTCECML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-6-10-8-4-3-7(5-9(8)12)11(6,10)2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one?
2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one has a molecular weight of 164.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyltricyclo[3.2.2.02,4]nonan-6-one is sourced from PubChem (CID 59412251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).