Basic information
- CAS
3561-84-0- Standard SMILES
CCC(C)c1cc(C)ccc1C- InChIKey
YLLKEDBKVUOZDL-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 1,4-Dimethyl-2-(1-methylpropyl)benzene
- IUPAC
- 2-butan-2-yl-1,4-dimethylbenzene
Names & synonyms
3561-84-0RefChem:2206581,4-dimethyl-2-(1-methylpropyl)benzeneBenzene, 1,4-dimethyl-2-(1-methylpropyl)2-sec-butyl-1,4-dimethylbenzeneSCHEMBL1005595SCHEMBL27391010DTXSID901037322
Database identifiers
- CAS
3561-84-0- PubChem CID
- 528679
- DTXSID
DTXSID901037322- Nikkaji
- J437.531I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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