Basic information
- Standard SMILES
CCOC(=O)C(C)CCCOc1cccc(O)c1C=O- InChIKey
JSNGRIMJSOURFM-UHFFFAOYSA-N- Molecular formula
- C15H20O5
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13107373
Names & identifiers
- Preferred name
- (+/-)-Ethyl 5-(2-formyl-3-hydroxyphenoxy)-2-methylpentanoate
- IUPAC
- ethyl 5-(2-formyl-3-hydroxyphenoxy)-2-methylpentanoate
Names & synonyms
JSNGRIMJSOURFM-UHFFFAOYSA-N(+/-)-ethyl 5-(2-formyl-3-hydroxyphenoxy)-2-methylpentanoate
Database identifiers
- PubChem CID
- 53972352
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Related reactions
1 records
Compound notes
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