methyl 3-oxo-2-[(1S)-3-oxocyclopentyl]butanoate
Basic information
- CAS
646038-06-4- Standard SMILES
COC(=O)C(C(C)=O)[C@H]1CCC(=O)C1- InChIKey
LJSSXRLSWRYDNY-JAVCKPHESA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
Names & identifiers
- Preferred name
- methyl 3-oxo-2-[(1S)-3-oxocyclopentyl]butanoate
- IUPAC
- methyl 3-oxo-2-[(1S)-3-oxocyclopentyl]butanoate
- English name
- Cyclopentaneacetic acid, -alpha--acetyl-3-oxo-, methyl ester, (1S)- (9CI)
- Molecular formula
- C10H14O4
- Molecular weight
- 198.21576
Names & synonyms
Cyclopentaneacetic acid, -alpha--acetyl-3-oxo-, methyl ester, (1S)- (9CI)
Database identifiers
- CAS
646038-06-4- Nikkaji
- J1.991.273F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…