CID 54420606
Basic information
- CAS
54542-32-4- Standard SMILES
CCOC(=O)C=CC=C(C)C- InChIKey
WANQTLPABDXASE-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- CID 54420606
- IUPAC
- ethyl 5-methylhexa-2,4-dienoate
Names & synonyms
SCHEMBL28579315DTXSID20711202
Database identifiers
- CAS
54542-32-4- PubChem CID
- 54420606
- DTXSID
DTXSID20711202
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
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Related reactions
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Compound notes
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