4-[(2-Fluorooctyl)oxy]phenyl 4-[(undec-10-en-1-yl)oxy]benzoate
Basic information
- CAS
141285-25-8- Standard SMILES
C=CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCC(F)CCCCCC)cc2)cc1- InChIKey
IVLCQXXIOCCJEC-UHFFFAOYSA-N- Molecular formula
- C32H45FO4
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.33018807
Names & identifiers
- Preferred name
- 4-[(2-Fluorooctyl)oxy]phenyl 4-[(undec-10-en-1-yl)oxy]benzoate
- IUPAC
- [4-(2-fluorooctoxy)phenyl] 4-undec-10-enoxybenzoate
Names & synonyms
141285-25-8SCHEMBL8374024DTXSID205615474-[(2-Fluorooctyl)oxy]phenyl 4-[(undec-10-en-1-yl)oxy]benzoate
Database identifiers
- CAS
141285-25-8- PubChem CID
- 14549136
- DTXSID
DTXSID20561547
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 22
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…