1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one

C9H16O2 — CID 15006382

IUPAC1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
SMILESCC(=O)C[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C9H16O2/c1-7(10)6-8-4-3-5-9(8,2)11/h8,11H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyRWIMFVBDSMFDHS-DTWKUNHWSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds2

About 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one

1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one (PubChem CID 15006382) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
PubChem CID15006382
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
SMILESCC(=O)C[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C9H16O2/c1-7(10)6-8-4-3-5-9(8,2)11/h8,11H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyRWIMFVBDSMFDHS-DTWKUNHWSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718
1-(2,2-dimethyloxan-3-yl)propan-2-one
CID 14027507
2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 178196709
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propan-2-one
CID 11832362
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
1-(2-amino-1-hydroxycyclopentyl)ethanone
CID 67891838
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one
CID 84648509

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one?
The IUPAC name of 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one (CID 15006382) is 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one?
The canonical SMILES for 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one is CC(=O)C[C@@H]1CCC[C@@]1(C)O.
What is the InChIKey of 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one?
The InChIKey is RWIMFVBDSMFDHS-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)6-8-4-3-5-9(8,2)11/h8,11H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one?
1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one is sourced from PubChem (CID 15006382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).