Basic information
- CAS
40572-12-1- Standard SMILES
Cc1c(CC(C)(C)C)cc(CC(C)(C)C)cc1CC(C)(C)C- InChIKey
OJECURJGJBOHGN-UHFFFAOYSA-N- Molecular formula
- C22H38
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.29735121
Names & identifiers
- Preferred name
- 1,3,5-Tris(2,2-dimethylpropyl)-2-methylbenzene
- IUPAC
- 1,3,5-tris(2,2-dimethylpropyl)-2-methylbenzene
- English name
- 1,3,5-Tris(2,2-dimethylpropyl)-2-methylbenzene
- Molecular formula
- C22H38
- Molecular weight
- 302.54
Names & synonyms
1,3,5-tris(2,2-dimethylpropyl)-2-methylbenzeneDTXSID7034717140572-12-1RefChem:217513DTXCID00298243Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-OJECURJGJBOHGN-UHFFFAOYSA-N2-Methyl-1,3,5-trineopentylbenzene #
Database identifiers
- CAS
40572-12-1- PubChem CID
- 618586
- DTXSID
DTXSID70347171- Nikkaji
- J140.867D
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 370.4 · 370.4±37.0 °C(Predicted)
- Density
- 0.857 · 0.857±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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