Basic information
- Standard SMILES
CC(=O)OCCCCCCCCCCCCOc1ccc(C=O)cc1- InChIKey
JYPZLWCHCWLMEW-UHFFFAOYSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- Acetic Acid 12-(4-Formyl-phenoxy)-dodecyl Ester
- IUPAC
- 12-(4-formylphenoxy)dodecyl acetate
Names & synonyms
SCHEMBL6847397JYPZLWCHCWLMEW-UHFFFAOYSA-NAcetic Acid 12-(4-Formyl-phenoxy)-dodecyl Ester
Database identifiers
- PubChem CID
- 11244987
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 335
Related reactions
4 records
Compound notes
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