4-hydroxy-4-(2-methylcyclohexyl)butan-2-one

C11H20O2 — CID 560091

IUPAC4-hydroxy-4-(2-methylcyclohexyl)butan-2-one
SMILESCC(=O)CC(O)C1CCCCC1C
InChIInChI=1S/C11H20O2/c1-8-5-3-4-6-10(8)11(13)7-9(2)12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyHCVXTEOWMKPQHJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds3

About 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one

4-hydroxy-4-(2-methylcyclohexyl)butan-2-one (PubChem CID 560091) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one.

Molecular Properties

Compound Name4-hydroxy-4-(2-methylcyclohexyl)butan-2-one
PubChem CID560091
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-hydroxy-4-(2-methylcyclohexyl)butan-2-one
SMILESCC(=O)CC(O)C1CCCCC1C
InChIInChI=1S/C11H20O2/c1-8-5-3-4-6-10(8)11(13)7-9(2)12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyHCVXTEOWMKPQHJ-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(2-methylcyclohexyl)ethane-1,2-diol
CID 57009721
2-cyclopentyl-1-(2-methylcyclopentyl)ethanol
CID 107192189
1-[(1R,2R)-2-methylcyclopentyl]pentan-1-ol
CID 102037625
(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
1-(2-methylcyclopentyl)heptan-1-ol
CID 15118791
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506
(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol
CID 89387077
1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol
CID 69422338
1-(2-methylcyclopentyl)hex-4-yn-1-ol
CID 107192887
2-(4-methoxyphenyl)-1-(2-methylcyclopentyl)ethanol
CID 107183403
4-cyclohexyl-4-fluorobutan-2-one
CID 105435232
2-bromo-1-[(1R,2R)-2-methylcyclohexyl]ethanone
CID 93494508

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one?
The IUPAC name of 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one (CID 560091) is 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one.
What is the SMILES notation for 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one?
The canonical SMILES for 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one is CC(=O)CC(O)C1CCCCC1C.
What is the InChIKey of 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one?
The InChIKey is HCVXTEOWMKPQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-5-3-4-6-10(8)11(13)7-9(2)12/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one?
4-hydroxy-4-(2-methylcyclohexyl)butan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-methylcyclohexyl)butan-2-one is sourced from PubChem (CID 560091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).