1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one

C14H26O2 — CID 135081225

IUPAC1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@@H]1[C@@H](C(C)C)CCC[C@]1(C)O
InChIInChI=1S/C14H26O2/c1-9(2)11-7-6-8-14(5,16)12(11)13(15)10(3)4/h9-12,16H,6-8H2,1-5H3/t11-,12+,14+/m1/s1
InChIKeyLXJFTUVBHVSVKS-DYEKYZERSA-N
MW226.36 g/mol
LogP3.03
Rot. Bonds3

About 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one

1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one (PubChem CID 135081225) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one
PubChem CID135081225
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@@H]1[C@@H](C(C)C)CCC[C@]1(C)O
InChIInChI=1S/C14H26O2/c1-9(2)11-7-6-8-14(5,16)12(11)13(15)10(3)4/h9-12,16H,6-8H2,1-5H3/t11-,12+,14+/m1/s1
InChIKeyLXJFTUVBHVSVKS-DYEKYZERSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one with MolForge

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Related Compounds

1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
CID 163017053
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 74931871
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1-[(3aR,4R,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
CID 154790342
1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
CID 15006382
trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
CID 131071734
[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium
CID 171460673

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one?
The IUPAC name of 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one (CID 135081225) is 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one is CC(C)C(=O)[C@@H]1[C@@H](C(C)C)CCC[C@]1(C)O.
What is the InChIKey of 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one?
The InChIKey is LXJFTUVBHVSVKS-DYEKYZERSA-N. The full InChI is InChI=1S/C14H26O2/c1-9(2)11-7-6-8-14(5,16)12(11)13(15)10(3)4/h9-12,16H,6-8H2,1-5H3/t11-,12+,14+/m1/s1.
What are the key properties of 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one?
1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,6R)-2-hydroxy-2-methyl-6-propan-2-ylcyclohexyl]-2-methylpropan-1-one is sourced from PubChem (CID 135081225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).