(S)-(S)-2-Methylbutyl 2-methylbutanoate
Basic information
- CAS
81115-67-5- Standard SMILES
CC[C@H](C)COC(=O)[C@@H](C)CC- InChIKey
PVYFCGRBIREQLL-IUCAKERBSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
Names & identifiers
- Preferred name
- (S)-(S)-2-Methylbutyl 2-methylbutanoate
- IUPAC
- [(2S)-2-methylbutyl] (2S)-2-methylbutanoate
- English name
- D-2-Methylbutyl 2-methylbutyrate
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
(S)-(S)-2-Methylbutyl 2-methylbutanoate81115-67-5[(2S)-2-methylbutyl] (2S)-2-methylbutanoatePVYFCGRBIREQLL-IUCAKERBSA-ND-2-METHYLBUTYL 2-METHYLBUTYRATE(S)-(-)-2-methylbutyl (S)-(+)-2-methylbutanoate[S-(R*,R*)]-2-Methylbutanoic acid 2-methylbutyl esterButanoic acid, 2-methyl-, (2S)-2-methylbutyl ester, (2S)-Butanoicacid, 2-methyl-, 2-methylbutyl ester, [S-(R*,R*)]- (9CI)
Database identifiers
- CAS
81115-67-5- Nikkaji
- J3.752.883H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 185 °C · 185 °C
- Density
- 0.87 · 0.870
- FEMA
- 3359 · 3359 | 2-METHYLBUTYL 2-METHYLBUTYRATE
- refractive index
- 1.42 · 1.4200
- Flash point
- 65 °C · 65 °C
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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