1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone

C10H18O2 — CID 134856008

IUPAC1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(O)CC[C@@H](C)C1(C)C
InChIInChI=1S/C10H18O2/c1-7-5-6-10(12,8(2)11)9(7,3)4/h7,12H,5-6H2,1-4H3/t7-,10-/m1/s1
InChIKeyRBEAUWXONLGALC-GMSGAONNSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds1

About 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone

1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone (PubChem CID 134856008) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
PubChem CID134856008
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(O)CC[C@@H](C)C1(C)C
InChIInChI=1S/C10H18O2/c1-7-5-6-10(12,8(2)11)9(7,3)4/h7,12H,5-6H2,1-4H3/t7-,10-/m1/s1
InChIKeyRBEAUWXONLGALC-GMSGAONNSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
CID 2750729
1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
CID 130030129
2-amino-1-(1,2,2,3-tetramethylcyclopentyl)ethanone
CID 2750733
[2-oxo-2-(1,2,2,3-tetramethylcyclopentyl)ethyl] acetate
CID 2750743
1-(1-ethyl-2-methylcyclobutyl)ethanone
CID 59190029
1-[(2S)-2-methyl-1-(methylamino)cyclobutyl]ethanone
CID 146800799
1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
CID 83905947
cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
CID 134856059
1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 54078464

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone (CID 134856008) is 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone is CC(=O)[C@]1(O)CC[C@@H](C)C1(C)C.
What is the InChIKey of 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone?
The InChIKey is RBEAUWXONLGALC-GMSGAONNSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-5-6-10(12,8(2)11)9(7,3)4/h7,12H,5-6H2,1-4H3/t7-,10-/m1/s1.
What are the key properties of 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone?
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone has a molecular weight of 170.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone is sourced from PubChem (CID 134856008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).