2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one

C11H20O2 — CID 101214956

IUPAC2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one
SMILESCC1CCC(C(O)C(C)C)C(=O)C1
InChIInChI=1S/C11H20O2/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h7-9,11,13H,4-6H2,1-3H3
InChIKeyBXWQGRMWTLWYTB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds2

About 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one

2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one (PubChem CID 101214956) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one
PubChem CID101214956
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one
SMILESCC1CCC(C(O)C(C)C)C(=O)C1
InChIInChI=1S/C11H20O2/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h7-9,11,13H,4-6H2,1-3H3
InChIKeyBXWQGRMWTLWYTB-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one
CID 91750162
3-(1-hydroxy-2-methylpropyl)thiolan-2-one
CID 15636334
trans-(2S,5R)-2-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11109768
trans-(2S,5R)-5-methyl-2-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one
CID 10539288
ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate
CID 13174427
trans-(2S,5R)-5-methyl-2-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]cyclohexan-1-one
CID 162889170
2-(1-hydroxyethyl)-4-methylcyclohexan-1-one
CID 23443048
N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
CID 130756041
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
trans-(2R,5S)-2-ethyl-5-methylcyclohexan-1-one
CID 99647050
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one?
The IUPAC name of 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one (CID 101214956) is 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one is CC1CCC(C(O)C(C)C)C(=O)C1.
What is the InChIKey of 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one?
The InChIKey is BXWQGRMWTLWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one?
2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropyl)-5-methylcyclohexan-1-one is sourced from PubChem (CID 101214956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).