1-cyclohexyl-2,2,3-trimethylbutan-1-one

C13H24O — CID 142560309

IUPAC1-cyclohexyl-2,2,3-trimethylbutan-1-one
SMILESCC(C)C(C)(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H24O/c1-10(2)13(3,4)12(14)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyDSDTXNHKFVFHKU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds3

About 1-cyclohexyl-2,2,3-trimethylbutan-1-one

1-cyclohexyl-2,2,3-trimethylbutan-1-one (PubChem CID 142560309) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2,2,3-trimethylbutan-1-one
PubChem CID142560309
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-cyclohexyl-2,2,3-trimethylbutan-1-one
SMILESCC(C)C(C)(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H24O/c1-10(2)13(3,4)12(14)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyDSDTXNHKFVFHKU-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-2-methyl-2-(methylamino)propan-1-one
CID 116566298
2-(azepan-1-yl)-1-cycloheptyl-2-methylpropan-1-one
CID 82931395
N-(2,3-dimethylbutan-2-yl)cyclohexanecarboxamide
CID 126636140
tert-butyl cyclododecanecarboxylate
CID 154013086
1-cyclopentyl-2-(dimethylamino)-2-methylpropan-1-one
CID 79047492
1-cyclohexyl-2-methyl-2-phosphorosooxypropan-1-one
CID 174402708
(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one
CID 138462216
1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
CID 79053327
chloromethane;cyclohexanecarboxylic acid
CID 160928112
1-cyclopentyl-2,2,2-trifluoroethanone
CID 15002815
tert-butyl 2-cyclooctyl-2-oxoacetate
CID 141407895
2-amino-1-cycloheptyl-2-ethylbutan-1-one
CID 116592825

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,3-trimethylbutan-1-one?
The IUPAC name of 1-cyclohexyl-2,2,3-trimethylbutan-1-one (CID 142560309) is 1-cyclohexyl-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 1-cyclohexyl-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 1-cyclohexyl-2,2,3-trimethylbutan-1-one is CC(C)C(C)(C)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2,3-trimethylbutan-1-one?
The InChIKey is DSDTXNHKFVFHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)13(3,4)12(14)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-cyclohexyl-2,2,3-trimethylbutan-1-one?
1-cyclohexyl-2,2,3-trimethylbutan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 142560309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).