Basic information
- Standard SMILES
COC(=O)CCCCCCCCCCOc1cc(OCCCCCCCCCCC(=O)OC)cc(C(=O)O)c1- InChIKey
VSYQWQLRWDFWSY-UHFFFAOYSA-N- Molecular formula
- C31H50O8
- Average molar mass
- 550.7 g/mol
Names & identifiers
- Preferred name
- 3,5-Bis[(11-methoxy-11-oxoundecyl)oxy]benzoic acid
- IUPAC
- 3,5-bis(11-methoxy-11-oxoundecoxy)benzoic acid
Names & synonyms
SCHEMBL9402876VSYQWQLRWDFWSY-UHFFFAOYSA-N3,5-bis[(11-methoxy-11-oxoundecyl)oxy]benzoic acid
Database identifiers
- PubChem CID
- 19091815
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 27
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 592
Related reactions
2 records
Compound notes
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