Basic information
- CAS
2051-38-9- Standard SMILES
CCC(C)OC(=O)CC(C)C- InChIKey
QPZJVNQNKWDDEQ-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- sec-Butyl isovalerate
- IUPAC
- butan-2-yl 3-methylbutanoate
- English name
- sec-butyl isovalerate
- Molecular formula
- C9H18O2
- Molecular weight
- 158.23802
Names & synonyms
sec-Butyl isovaleratebutan-2-yl 3-methylbutanoate2051-38-9EINECS 218-120-93-Methylbutanoic acid sec-butyl estermethylpropyl 3-methylbutanoateSCHEMBL2692319SCHEMBL4445428DTXSID10942684NS00045746Butanoic acid, 3-methyl-, 1-methylpropyl esterIsovaleric acid sec-butyl ester
Database identifiers
- CAS
2051-38-9- PubChem CID
- 102737
- DTXSID
DTXSID10942684- EC Number
- 218-120-9
- Nikkaji
- J95.904I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Chemistry & industry
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…