Basic information
- CAS
28080-86-6- Standard SMILES
CCC(C)(C)Cc1ccccc1- InChIKey
IQUZXHOQPNGXTM-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- (2,2-Dimethylbutyl)benzene
- IUPAC
- 2,2-dimethylbutylbenzene
- English name
- 2,2-Dimethylbutylbenzene
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
(2,2-DIMETHYLBUTYL)BENZENE28080-86-6DTXSID40182359RefChem:1049580DTXCID00104850Benzene, (2,2-dimethylbutyl)-(2,2-Dimethylbutyl)benzene #SCHEMBL3461269SCHEMBL4352224SCHEMBL6893898SCHEMBL6893902SCHEMBL9427318
Show more names
2,2-Dimethylbutylbenzene
SCHEMBL10519823IQUZXHOQPNGXTM-UHFFFAOYSA-N
Database identifiers
- CAS
28080-86-6- PubChem CID
- 34141
- DTXSID
DTXSID40182359- Nikkaji
- J113.048J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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