sec-Butyl acetate, (-)-
Basic information
- CAS
54657-08-8- Standard SMILES
CC[C@@H](C)OC(C)=O- InChIKey
DCKVNWZUADLDEH-RXMQYKEDSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- sec-Butyl acetate, (-)-
- IUPAC
- [(2R)-butan-2-yl] acetate
Names & synonyms
(-)-sec-Butyl acetate(2R)-2-Acetoxybutane(-)-2-Butyl acetatesec-Butyl acetate, (-)-KU2W9MR8SYAcetic acid, (1R)-1-methylpropyl ester54657-08-8sec-Butyl acetate L-RefChem:1098390sec-Butyl acetate L-form [MI]UNII-KU2W9MR8SYAcetic acid (R)-sec-butyl ester
Show more names
r-2-butyl acetateSCHEMBL1214196SCHEMBL1214198Q27282437
Database identifiers
- CAS
54657-08-8- PubChem CID
- 6950754
- UNII
- KU2W9MR8SY
- Nikkaji
- J1.331.002E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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