1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone

C11H18O2 — CID 164669308

IUPAC1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC(C)(C)C[C@H]1C(C)=O
InChIInChI=1S/C11H18O2/c1-7(12)9-5-11(3,4)6-10(9)8(2)13/h9-10H,5-6H2,1-4H3/t9-,10+
InChIKeyJUZRPBIOZCGHOZ-AOOOYVTPSA-N
MW182.26 g/mol
LogP2.22
Rot. Bonds2

About 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone

1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone (PubChem CID 164669308) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone
PubChem CID164669308
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC(C)(C)C[C@H]1C(C)=O
InChIInChI=1S/C11H18O2/c1-7(12)9-5-11(3,4)6-10(9)8(2)13/h9-10H,5-6H2,1-4H3/t9-,10+
InChIKeyJUZRPBIOZCGHOZ-AOOOYVTPSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone
CID 174915848
methyl 4-[(1S,2S)-2-acetyl-4,4-dimethylcyclopentyl]-3-oxobutanoate
CID 10244039
cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 45262222
trans-(1S,2R)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
CID 130927341
N-(5-acetamido-3,3-dimethylcyclohexyl)acetamide
CID 23292846
1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone
CID 163551388
1-(2,3,4-triacetylcyclopentyl)ethanone
CID 20647725
N,N,3,3-tetramethylcyclobutane-1-carboxamide
CID 45123501
2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde
CID 72819468
(2-amino-4,4-dimethylcyclopentyl) acetate
CID 174313858
1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone
CID 123180070
1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
CID 158478466

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone (CID 164669308) is 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone is CC(=O)[C@H]1CC(C)(C)C[C@H]1C(C)=O.
What is the InChIKey of 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone?
The InChIKey is JUZRPBIOZCGHOZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H18O2/c1-7(12)9-5-11(3,4)6-10(9)8(2)13/h9-10H,5-6H2,1-4H3/t9-,10+.
What are the key properties of 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone?
1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone is sourced from PubChem (CID 164669308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).