(2S)-2-butyl-2-methylcyclohexan-1-one

C11H20O — CID 10080777

IUPAC(2S)-2-butyl-2-methylcyclohexan-1-one
SMILESCCCC[C@@]1(C)CCCCC1=O
InChIInChI=1S/C11H20O/c1-3-4-8-11(2)9-6-5-7-10(11)12/h3-9H2,1-2H3/t11-/m0/s1
InChIKeySGVWFCRSGQMOOV-NSHDSACASA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds3

About (2S)-2-butyl-2-methylcyclohexan-1-one

(2S)-2-butyl-2-methylcyclohexan-1-one (PubChem CID 10080777) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S)-2-butyl-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-butyl-2-methylcyclohexan-1-one
PubChem CID10080777
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S)-2-butyl-2-methylcyclohexan-1-one
SMILESCCCC[C@@]1(C)CCCCC1=O
InChIInChI=1S/C11H20O/c1-3-4-8-11(2)9-6-5-7-10(11)12/h3-9H2,1-2H3/t11-/m0/s1
InChIKeySGVWFCRSGQMOOV-NSHDSACASA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-decyl-2-methylcyclohexan-1-one
CID 102124069
2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride
CID 105437255
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
CID 13308219
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
methyl 3-(1-methyl-2-oxocycloheptyl)propanoate
CID 14691914
2-hydroxy-2-pentylcycloheptan-1-one
CID 12920406
(2S)-2-methyl-2-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 102124068
2-(1-bromoethenyl)-2-butylcyclononan-1-one
CID 102390500
3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile
CID 124706696
2-but-2-ynyl-2-methylcyclohexan-1-one
CID 13308710
1-dodecyl-2-oxocyclohexane-1-carbonitrile
CID 65395030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-2-methylcyclohexan-1-one?
The IUPAC name of (2S)-2-butyl-2-methylcyclohexan-1-one (CID 10080777) is (2S)-2-butyl-2-methylcyclohexan-1-one.
What is the SMILES notation for (2S)-2-butyl-2-methylcyclohexan-1-one?
The canonical SMILES for (2S)-2-butyl-2-methylcyclohexan-1-one is CCCC[C@@]1(C)CCCCC1=O.
What is the InChIKey of (2S)-2-butyl-2-methylcyclohexan-1-one?
The InChIKey is SGVWFCRSGQMOOV-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-8-11(2)9-6-5-7-10(11)12/h3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-butyl-2-methylcyclohexan-1-one?
(2S)-2-butyl-2-methylcyclohexan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyl-2-methylcyclohexan-1-one is sourced from PubChem (CID 10080777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).