(4R)-4-Methyloxepan-2-one
Basic information
- CAS
18951-93-4- Standard SMILES
C[C@@H]1CCCOC(=O)C1- InChIKey
CHXLFXLPKLZALY-ZCFIWIBFSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- (4R)-4-Methyloxepan-2-one
- IUPAC
- (4R)-4-methyloxepan-2-one
Names & synonyms
18951-93-4(4R)-4-Methyloxepan-2-one(R)-4-Methyloxepan-2-one2-OXEPANONE, 4-METHYL-, (4R)-SCHEMBL18268934DTXSID50559492EN300-28220555
Database identifiers
- CAS
18951-93-4- PubChem CID
- 14367693
- DTXSID
DTXSID50559492- Nikkaji
- J1.424.788B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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