2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one

C12H20O2 — CID 176639154

IUPAC2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
SMILESCC(C)C(=O)C1CCC1C(=O)C(C)C
InChIInChI=1S/C12H20O2/c1-7(2)11(13)9-5-6-10(9)12(14)8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyTWKICKQQXYZJTK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.46
Rot. Bonds4

About 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one

2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one (PubChem CID 176639154) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
PubChem CID176639154
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
SMILESCC(C)C(=O)C1CCC1C(=O)C(C)C
InChIInChI=1S/C12H20O2/c1-7(2)11(13)9-5-6-10(9)12(14)8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyTWKICKQQXYZJTK-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one
CID 166581252
1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one
CID 59080135
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
bicyclo[2.1.0]pentane;2-methylpropanoic acid
CID 174730987
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpropan-1-one
CID 102086343
[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate
CID 88572391
2-methyl-1-(3-methylcyclobutyl)propan-1-one
CID 70309375
2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one
CID 59682192
1-(2-benzylcyclobutyl)-2-methylpropan-1-one
CID 123708606
2-methyl-1-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propan-1-one
CID 170366889
2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 171938870
tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate
CID 121475931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one (CID 176639154) is 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one is CC(C)C(=O)C1CCC1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one?
The InChIKey is TWKICKQQXYZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)11(13)9-5-6-10(9)12(14)8(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one?
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one is sourced from PubChem (CID 176639154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).