Basic information
- CAS
72207-58-0- Standard SMILES
CCCCC[C@@H](CCCC)CCc1cc(O)c(CC[C@H](CCCC)CCCCC)cc1O- InChIKey
DDNGITSTKRVQGM-CLJLJLNGSA-N- Molecular formula
- C30H54O2
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 446.41238096
Names & identifiers
- Preferred name
- 2,5-bis[(3R)-3-butyloctyl]benzene-1,4-diol
- IUPAC
- 2,5-bis[(3R)-3-butyloctyl]benzene-1,4-diol
Database identifiers
- CAS
72207-58-0- PubChem CID
- 3085751
Properties
Computed structural properties
- XLogP
- 13.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…