Basic information
- Standard SMILES
CCOC(=O)CCCCOc1ccc(C(=O)OC)c(O)c1C=O- InChIKey
BDFJMKYYJYNHHZ-UHFFFAOYSA-N- Molecular formula
- C16H20O7
- Average molar mass
- 324.32 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-(2-formyl-3-hydroxy-4-methoxycarbonylphenoxy)pentanoate
- IUPAC
- methyl 4-(5-ethoxy-5-oxopentoxy)-3-formyl-2-hydroxybenzoate
Names & synonyms
SCHEMBL11143973BDFJMKYYJYNHHZ-UHFFFAOYSA-Nethyl 5-(2-formyl-3-hydroxy-4-methoxycarbonylphenoxy)pentanoate
Database identifiers
- PubChem CID
- 20484347
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
3 records
Compound notes
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