Basic information
- CAS
66576-09-8- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1- InChIKey
PFEYPCRYMYSDRO-UHFFFAOYSA-N- Molecular formula
- C49H92
- Average molar mass
- 681.3 g/mol
- Monoisotopic mass
- 680.71990293
Names & identifiers
- Preferred name
- Tritetracontylbenzene
- IUPAC
- tritetracontylbenzene
Names & synonyms
tritetracontylbenzene66576-09-8RefChem:386760DTXSID601314967
Database identifiers
- CAS
66576-09-8- PubChem CID
- 129658564
- DTXSID
DTXSID601314967
Properties
Computed structural properties
- XLogP
- 25.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 42
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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