1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one

C17H30O2 — CID 146364197

IUPAC1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)C1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H30O2/c1-7-17(5,6)15(19)13-10-8-12(9-11-13)14(18)16(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyVFGMLLTVGLFGSI-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.41
Rot. Bonds4

About 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one

1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one (PubChem CID 146364197) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
PubChem CID146364197
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)C1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H30O2/c1-7-17(5,6)15(19)13-10-8-12(9-11-13)14(18)16(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyVFGMLLTVGLFGSI-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one
CID 129093514
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
2,2-dimethyl-1-(3-propanoylcyclohexyl)propan-1-one
CID 166711162
1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one
CID 166686766
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 161235938
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
1-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]cyclohexyl]ethyl 4-(2,2-dimethylbutanoyl)cyclohexane-1-carboxylate
CID 123348212
N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 172516053
1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one
CID 118217503
2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
CID 116560204
1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067804

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one (CID 146364197) is 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)C1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one?
The InChIKey is VFGMLLTVGLFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-17(5,6)15(19)13-10-8-12(9-11-13)14(18)16(2,3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one?
1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one has a molecular weight of 266.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 146364197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).