1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one

C14H24O2 — CID 118217503

IUPAC1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one
SMILESCC(=O)C1(C)CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H24O2/c1-10(15)14(5)8-6-11(7-9-14)12(16)13(2,3)4/h11H,6-9H2,1-5H3
InChIKeyZRWKHQAAPZEMCV-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one

1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one (PubChem CID 118217503) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one
PubChem CID118217503
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one
SMILESCC(=O)C1(C)CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H24O2/c1-10(15)14(5)8-6-11(7-9-14)12(16)13(2,3)4/h11H,6-9H2,1-5H3
InChIKeyZRWKHQAAPZEMCV-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
8-(2,2-dimethylpropanoyl)-2-methylidene-1,3-diazaspiro[4.5]decan-4-one
CID 118217508
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
CID 146364197
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 161235938
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075
1-(4-methylthian-4-yl)ethanone
CID 115012413
1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 153429546
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one (CID 118217503) is 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one is CC(=O)C1(C)CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one?
The InChIKey is ZRWKHQAAPZEMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(15)14(5)8-6-11(7-9-14)12(16)13(2,3)4/h11H,6-9H2,1-5H3.
What are the key properties of 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one?
1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-4-methylcyclohexyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 118217503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).