(2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one

C11H20O2 — CID 11834954

IUPAC(2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)[C@](C)(O)C1
InChIInChI=1S/C11H20O2/c1-10(2,3)8-5-6-9(12)11(4,13)7-8/h8,13H,5-7H2,1-4H3/t8?,11-/m1/s1
InChIKeyVFSXLWIJXGMBMM-QHDYGNBISA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds

About (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one

(2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one (PubChem CID 11834954) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one
PubChem CID11834954
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)[C@](C)(O)C1
InChIInChI=1S/C11H20O2/c1-10(2,3)8-5-6-9(12)11(4,13)7-8/h8,13H,5-7H2,1-4H3/t8?,11-/m1/s1
InChIKeyVFSXLWIJXGMBMM-QHDYGNBISA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,6-Trimethyl-2-hydroxycyclohexanone
CID 101115
Oxypinocamphone
CID 112005
trans-(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
CID 11172838
1-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one
CID 16216884
4-Hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
CID 91172
2-Hydroxypinocamphone, (1R,2R,5R)-(+)-
CID 6553882
(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo(3.1.1)heptan-3-one
CID 11126668
(3S)-5-[(1R,2R)-2-hydroxy-2,6,6-trimethylcyclohexyl]-3-methylpentanoic acid
CID 162994197
(2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-one
CID 163038015
Eutypeterpene F
CID 170988920
(1r,2r)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]-heptan-3-one
CID 129709761
(+)-4-Hydroxy-p-menth-3-one
CID 12608339

Frequently Asked Questions

What is the IUPAC name of (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one?
The IUPAC name of (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one (CID 11834954) is (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one.
What is the SMILES notation for (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one?
The canonical SMILES for (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one is CC(C)(C)C1CCC(=O)[C@](C)(O)C1.
What is the InChIKey of (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one?
The InChIKey is VFSXLWIJXGMBMM-QHDYGNBISA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,3)8-5-6-9(12)11(4,13)7-8/h8,13H,5-7H2,1-4H3/t8?,11-/m1/s1.
What are the key properties of (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one?
(2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one is sourced from PubChem (CID 11834954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).