Basic information
- CAS
593157-04-1- Standard SMILES
Cc1cc(C(c2ccc(C(c3cc(C)c(OCCCCCCBr)c(C)c3)c3cc(C)c(OCCCCCCBr)c(C)c3)cc2)c2cc(C)c(OCCCCCCBr)c(C)c2)cc(C)c1OCCCCCCBr- InChIKey
KVAVTZIHEQEMFW-UHFFFAOYSA-N- Molecular formula
- C64H86Br4O4
- Average molar mass
- 1,239 g/mol
- Monoisotopic mass
- 1,234.32596
Names & identifiers
- Preferred name
- 1,1',1'',1'''-(1,4-Phenylenedimethanetriyl)tetrakis{4-[(6-bromohexyl)oxy]-3,5-dimethylbenzene}
- IUPAC
- 5-[[4-[bis[4-(6-bromohexoxy)-3,5-dimethylphenyl]methyl]phenyl]-[4-(6-bromohexoxy)-3,5-dimethylphenyl]methyl]-2-(6-bromohexoxy)-1,3-dimethylbenzene
Names & synonyms
593157-04-1DTXSID007871821,1',1'',1'''-(1,4-Phenylenedimethanetriyl)tetrakis{4-[(6-bromohexyl)oxy]-3,5-dimethylbenzene}
Database identifiers
- CAS
593157-04-1- PubChem CID
- 71363669
- DTXSID
DTXSID00787182
Properties
Computed structural properties
- XLogP
- 20.2
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 34
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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