2-Heptenoic acid, 2-methyl-7-oxo-, ethyl ester, (Z)-
Basic information
- CAS
71789-11-2- Standard SMILES
CCOC(=O)/C(C)=C\CCCC=O- InChIKey
SOAMXCQSJLEHQJ-CLFYSBASSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Names & identifiers
- Preferred name
- 2-Heptenoic acid, 2-methyl-7-oxo-, ethyl ester, (Z)-
- IUPAC
- ethyl (Z)-2-methyl-7-oxohept-2-enoate
Names & synonyms
2-Heptenoic acid, 2-methyl-7-oxo-, ethyl ester, (Z)-DTXSID50121694271789-11-2Ethyl (2Z)-2-methyl-7-oxohept-2-enoate
Database identifiers
- CAS
71789-11-2- PubChem CID
- 12489481
- DTXSID
DTXSID501216942
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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