Isobutyl hexa-2,4-dienoate
Basic information
- CAS
61041-75-6- Standard SMILES
CC=CC=CC(=O)OCC(C)C- InChIKey
LPMAVIRJZLOTCU-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Isobutyl hexa-2,4-dienoate
- IUPAC
- 2-methylpropyl hexa-2,4-dienoate
Names & synonyms
Isobutyl hexa-2,4-dienoate2-methylpropyl hexa-2,4-dienoateIsobutyl 2,4-hexadienoateSCHEMBL28846640DTXSID50892437LPMAVIRJZLOTCU-UHFFFAOYSA-NDB-319672NS00034538
Database identifiers
- CAS
61041-75-6- PubChem CID
- 109042
- DTXSID
DTXSID50892437- EC Number
- 262-567-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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