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

C8H14O2 — CID 171582069

IUPAC1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(O)CCC[C@H]1C
InChIInChI=1S/C8H14O2/c1-6-4-3-5-8(6,10)7(2)9/h6,10H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeySIMDKARBYGVHPJ-SVRRBLITSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

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

1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone (PubChem CID 171582069) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
PubChem CID171582069
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(O)CCC[C@H]1C
InChIInChI=1S/C8H14O2/c1-6-4-3-5-8(6,10)7(2)9/h6,10H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeySIMDKARBYGVHPJ-SVRRBLITSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-1-hydroxycyclopentyl)ethanone
CID 67891838
1-[(1R,2R)-1,2-dihydroxycyclohexyl]ethanone
CID 130753130
1-(2-methyl-1-propoxycyclopentyl)ethanone
CID 83226617
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone
CID 121227478
1-[(2R,4aR,8S,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone;1-[(2S,4aR,8S,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone
CID 161105965
1-[(2S,4aR,8R,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone
CID 146509778
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
CID 83906995
1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 54078464
cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone
CID 175856692
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone (CID 171582069) is 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone is CC(=O)[C@]1(O)CCC[C@H]1C.
What is the InChIKey of 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone?
The InChIKey is SIMDKARBYGVHPJ-SVRRBLITSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-3-5-8(6,10)7(2)9/h6,10H,3-5H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone?
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone is sourced from PubChem (CID 171582069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).