Basic information
- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(CCCOC[C@@H](C)CC)cc2)cc1- InChIKey
HQHKLBLHZVOHFH-SANMLTNESA-N- Molecular formula
- C31H46O4
- Average molar mass
- 482.7 g/mol
Names & identifiers
- Preferred name
- (+)-4-[3-{2(S)-methylbutoxy}propyl]phenyl 4-decyloxybenzoate
- IUPAC
- [4-[3-[(2S)-2-methylbutoxy]propyl]phenyl] 4-decoxybenzoate
Names & synonyms
SCHEMBL9252624HQHKLBLHZVOHFH-SANMLTNESA-N(+)-4-[3-{2(S)-methylbutoxy}propyl]phenyl 4-decyloxybenzoate
Database identifiers
- PubChem CID
- 22844683
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 506
Related reactions
3 records
Compound notes
Loading…