2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate
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Basic information
- CAS
1901-39-9- Standard SMILES
CC(=O)OCCC1CC(=O)C(C)C1(C)C- InChIKey
ODBRWRPMELYFSQ-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Names & identifiers
- Preferred name
- 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate
- IUPAC
- 2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate
- English name
- 2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate
- Molecular formula
- C12H20O3
- Molecular weight
- 212.2854
Names & synonyms
2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate1901-39-9EINECS 217-601-0DTXSID40940552ODBRWRPMELYFSQ-UHFFFAOYSA-NNS000456694-[2-(Acetyloxy)ethyl]-2,3,3-trimethylcyclopentanone
Database identifiers
- CAS
1901-39-9- PubChem CID
- 102711
- DTXSID
DTXSID40940552- EC Number
- 217-601-0
- Nikkaji
- J199.725D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
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Compound notes
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