Basic information
- CAS
1601-73-6- Standard SMILES
CCCCc1ccc(C)cc1C- InChIKey
JEHCWPAYIBNVDI-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 1-Butyl-2,4-dimethylbenzene
- IUPAC
- 1-butyl-2,4-dimethylbenzene
Names & synonyms
1-butyl-2,4-dimethylbenzeneBenzene, 1-butyl-2,4-dimethyl1601-73-6SCHEMBL1609490SCHEMBL1609492SCHEMBL5838107SCHEMBL8426258SCHEMBL8647839SCHEMBL11649616SCHEMBL20528655SCHEMBL29022204DTXSID001037094
Show more names
2-Methyl-6-(trichloromethyl)-4-pyridinol
Database identifiers
- CAS
1601-73-6- PubChem CID
- 528686
- DTXSID
DTXSID001037094- Nikkaji
- J437.533E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…