Basic information
- CAS
87969-80-0- Standard SMILES
CCCCCCCCc1ccc(CCCCCCCC)c(CCCCCCCC)c1- InChIKey
JKEAFYVRWXMBHD-UHFFFAOYSA-N- Molecular formula
- C30H54
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.42255172
Names & identifiers
- Preferred name
- 1,2,4-Trioctylbenzene
- IUPAC
- 1,2,4-trioctylbenzene
Names & synonyms
1,2,4-trioctylbenzene87969-80-0SCHEMBL9862310DTXSID80469878
Database identifiers
- CAS
87969-80-0- PubChem CID
- 11640258
- DTXSID
DTXSID80469878- Nikkaji
- J994.506G
Properties
Computed structural properties
- XLogP
- 14.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 21
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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