1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone

C12H22O2 — CID 142684025

IUPAC1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
SMILESCC(=O)[C@@]1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11,14)10(4)13/h8-9,11,14H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
InChIKeyIWZOSYVOJMBIIC-USWWRNFRSA-N
MW198.31 g/mol
LogP2.40
Rot. Bonds2

About 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone

1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone (PubChem CID 142684025) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
PubChem CID142684025
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
SMILESCC(=O)[C@@]1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11,14)10(4)13/h8-9,11,14H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
InChIKeyIWZOSYVOJMBIIC-USWWRNFRSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 163406245
1-hydroxy-N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491842
cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101266253
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
1-hydroxy-5-methyl-N-[2-(4-methylphenyl)ethyl]-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491819
(1R)-1-hydroxy-5-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 175491805
(1S,2S,5R)-N-[2-(2-fluorophenyl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 164537854
1-(1-hydroxyethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 57200441
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432845
N-[2-(2,3-difluorophenyl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432806
1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 72951939

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone (CID 142684025) is 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone is CC(=O)[C@@]1(O)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone?
The InChIKey is IWZOSYVOJMBIIC-USWWRNFRSA-N. The full InChI is InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11,14)10(4)13/h8-9,11,14H,5-7H2,1-4H3/t9-,11+,12+/m1/s1.
What are the key properties of 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone?
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone has a molecular weight of 198.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone is sourced from PubChem (CID 142684025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).