Basic information
- CAS
55195-33-0- Standard SMILES
CCCCCCC(=O)OCC(C)CC- InChIKey
NEYFHTHRJVQMPA-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Overview
2-Methylbutyl heptanoate has been reported in Aspergillus clavatus with data available.
Names & identifiers
- Preferred name
- 2-Methylbutyl heptanoate
- IUPAC
- 2-methylbutyl heptanoate
Names & synonyms
2-Methylbutyl heptanoate(S)-2-Methylbutyl heptanoate55195-33-0EINECS 259-526-6Heptanoic acid, 2-methylbutyl ester2-methylbutyl hep-tanoate2-Methylbutyl heptanoate #SCHEMBL17240694DTXSID10970523
Database identifiers
- CAS
55195-33-0- PubChem CID
- 537697
- DTXSID
DTXSID10970523- EC Number
- 259-526-6
- Nikkaji
- J1.031.918H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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