Pyrene, 2-(1-methylethyl)-
Basic information
- CAS
78751-61-8- Standard SMILES
CC(C)c1cc2ccc3cccc4ccc(c1)c2c34- InChIKey
MZHWYYWPJIVLRW-UHFFFAOYSA-N- Molecular formula
- C19H16
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.12520051
Names & identifiers
- Preferred name
- Pyrene, 2-(1-methylethyl)-
- IUPAC
- 2-propan-2-ylpyrene
Names & synonyms
2-isopropylpyrenePyrene, 2-(1-methylethyl)-78751-61-82-(propan-2-yl)pyreneSCHEMBL23527415DTXSID90229268InChI=1/C19H16/c1-12(2)17-10-15-8-6-13-4-3-5-14-7-9-16(11-17)19(15)18(13)14/h3-12H,1-2H
Database identifiers
- CAS
78751-61-8- PubChem CID
- 157246
- DTXSID
DTXSID90229268- Nikkaji
- J434.331J
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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