Pyrene, 1,3,5,7,9-pentakis(1-methylethyl)-
Basic information
- CAS
78751-94-7- Standard SMILES
CC(C)c1cc2c(C(C)C)cc3c(C(C)C)cc(C(C)C)c4cc(C(C)C)c(c1)c2c34- InChIKey
JOZHFUQDWBBISQ-UHFFFAOYSA-N- Molecular formula
- C31H40
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.31300128
Names & identifiers
- Preferred name
- Pyrene, 1,3,5,7,9-pentakis(1-methylethyl)-
- IUPAC
- 1,3,5,7,9-penta(propan-2-yl)pyrene
Names & synonyms
Pyrene, 1,3,5,7,9-pentakis(1-methylethyl)-78751-94-7DTXSID50229269RefChem:376312DTXCID201517601,3,5,7,9-penta(propan-2-yl)pyrene
Database identifiers
- CAS
78751-94-7- PubChem CID
- 157247
- DTXSID
DTXSID50229269- Nikkaji
- J434.327A
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…