Basic information
- CAS
26314-50-1- Standard SMILES
CCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCC)cc3)cc2)cc1- InChIKey
IRUYTBNMLHDIBP-UHFFFAOYSA-N- Molecular formula
- C38H50O6
- Average molar mass
- 602.8 g/mol
- Monoisotopic mass
- 602.36073931
Names & identifiers
- Preferred name
- 4-{[4-(Nonyloxy)benzoyl]oxy}phenyl 4-(nonyloxy)benzoate
- IUPAC
- [4-(4-nonoxybenzoyl)oxyphenyl] 4-nonoxybenzoate
Names & synonyms
DTXSID5012391244-{[4-(NONYLOXY)BENZOYL]OXY}PHENYL 4-(NONYLOXY)BENZOATEAKOS02442150326314-50-11,4-Phenylene bis[4-(nonyloxy)benzoate]Benzoic acid, 4-(nonyloxy)-, 1,4-phenylene ester
Database identifiers
- CAS
26314-50-1- PubChem CID
- 4464488
- DTXSID
DTXSID501239124
Properties
Computed structural properties
- XLogP
- 12.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…