Basic information
- CAS
1242-76-8- Standard SMILES
Cc1cccc2c1ccc1c3ccc4c(c3ccc21)CC(C)(C)CC4- InChIKey
QTTSLFHFYFQOPR-UHFFFAOYSA-N- Molecular formula
- C25H24
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.18780077
Names & identifiers
- Preferred name
- Picene, 1,2,3,4-tetrahydro-2,2,9-trimethyl-
- IUPAC
- 2,2,9-trimethyl-3,4-dihydro-1H-picene
- English name
- Picene,1,2,3,4-tetrahydro-2,2,9-triMethyl-
- Molecular formula
- C25H24
- Molecular weight
- 324.46
Names & synonyms
1242-76-8Picene, 1,2,3,4-tetrahydro-2,2,9-trimethyl-1,2,3,4-Tetrahydro-2,2,9-trimethylpiceneDTXSID70154241RefChem:371616DTXCID20767322,2,9-TRIMETHYL-1,2,3,4-TETRAHYDROPICENE2,2,9-trimethyl-3,4-dihydro-1H-picenePicene,1,2,3,4-tetrahydro-2,2,9-triMethyl-
Database identifiers
- CAS
1242-76-8- PubChem CID
- 14720
- DTXSID
DTXSID70154241- Nikkaji
- J656.833E
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Melting point
- 251 · 251-252 °C
- Boiling point
- 520.3 · 520.3±30.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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