2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one

C10H16O3 — CID 14936116

IUPAC2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one
SMILESCC(=O)[C@](C)(O)C1CCCCC1=O
InChIInChI=1S/C10H16O3/c1-7(11)10(2,13)8-5-3-4-6-9(8)12/h8,13H,3-6H2,1-2H3/t8?,10-/m0/s1
InChIKeyVOQXLPNDRZVHEM-HTLJXXAVSA-N
MW184.23 g/mol
LogP1.09
Rot. Bonds2

About 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one

2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one (PubChem CID 14936116) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one
PubChem CID14936116
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one
SMILESCC(=O)[C@](C)(O)C1CCCCC1=O
InChIInChI=1S/C10H16O3/c1-7(11)10(2,13)8-5-3-4-6-9(8)12/h8,13H,3-6H2,1-2H3/t8?,10-/m0/s1
InChIKeyVOQXLPNDRZVHEM-HTLJXXAVSA-N
XLogP1.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1-nitro-3-oxobutan-2-yl)cyclohexan-1-one
CID 10398828
2,2-difluoro-2-(2-oxocyclohexyl)acetic acid
CID 84719815
(2S)-2-(trifluoromethyl)cyclohexan-1-one
CID 7021848
2-(2-methoxypropan-2-yl)cyclopentan-1-one
CID 13014764
tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate
CID 10683531
2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one
CID 23559828
[3-methyl-3-(2-oxocyclohexyl)butyl]phosphonic acid
CID 70544910
2-acetylcyclododecan-1-one
CID 4255606
2-acetylcycloheptane-1,3-dione
CID 15535129
2-(2,2-dimethylpropanoyl)cycloheptane-1,3-dione
CID 107430786
(2S)-2-[(1S)-1-hydroxy-1-phenylpropyl]cyclohexan-1-one
CID 102452040
2-(4-acetylpiperazin-1-yl)cyclohexan-1-one
CID 60782148

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one (CID 14936116) is 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one is CC(=O)[C@](C)(O)C1CCCCC1=O.
What is the InChIKey of 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one?
The InChIKey is VOQXLPNDRZVHEM-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(11)10(2,13)8-5-3-4-6-9(8)12/h8,13H,3-6H2,1-2H3/t8?,10-/m0/s1.
What are the key properties of 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one?
2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 14936116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).