Basic information
- CAS
57022-74-9- Standard SMILES
CCCCC/C=C/C=C/COC(=O)CC(C)C- InChIKey
BFONWEJKMSLMCY-BNFZFUHLSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- Butanoic acid, 3-methyl-, 2,4-decadienyl ester, (E,E)-
- IUPAC
- [(2E,4E)-deca-2,4-dienyl] 3-methylbutanoate
- English name
- (2E,4E)-deca-2,4-dienyl isovalerate
- Molecular formula
- C15H26O2
- Molecular weight
- 238.36574
Names & synonyms
57022-74-9DTXSID901211299Butanoic acid, 3-methyl-, 2,4-decadienyl ester, (E,E)-RefChem:571426DTXCID301642662(2E,4E)-Deca-2,4-dienyl isovalerateEINECS 260-522-1(2E,4E)-DECA-2,4-DIEN-1-YL 3-METHYLBUTANOATEBFONWEJKMSLMCY-BNFZFUHLSA-NDB-246820NS000544963-Methylbutanoic acid (2E,4E)-2,4-decadienyl ester
Database identifiers
- CAS
57022-74-9- PubChem CID
- 6436652
- DTXSID
DTXSID901211299- EC Number
- 260-522-1
- Nikkaji
- J349.064E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butanoic acid, 3-methyl-, 2,4-decadienyl ester, (E,E)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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