Basic information
- Standard SMILES
CCOC(=O)CC1(CCC(C=O)CCc2ccc(C(=O)OC)cc2)CC1- InChIKey
MMUXKHNOIVICOP-UHFFFAOYSA-N- Molecular formula
- C21H28O5
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-{5-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]-3-formylpentyl}benzoate
- IUPAC
- methyl 4-[5-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]-3-formylpentyl]benzoate
Names & synonyms
SCHEMBL2690297MMUXKHNOIVICOP-UHFFFAOYSA-NMethyl 4-{5-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]-3-formylpentyl}benzoate
Database identifiers
- PubChem CID
- 57965765
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Related reactions
4 records
Compound notes
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