Basic information
- CAS
62449-90-5- Standard SMILES
CCC(C)c1ccc(CC(C)C)cc1- InChIKey
ABKIAULFUACPBW-UHFFFAOYSA-N- Molecular formula
- C14H22
- Average molar mass
- 190.32 g/mol
- Monoisotopic mass
- 190.1721507
Names & identifiers
- Preferred name
- Benzene, 1-(1-methylpropyl)-4-(2-methylpropyl)
- IUPAC
- 1-butan-2-yl-4-(2-methylpropyl)benzene
Names & synonyms
Benzene, 1-(1-methylpropyl)-4-(2-methylpropyl)Benzene, 1-(1-methylpropyl)-4-(2-methylpropyl)-62449-90-51-(butan-2-yl)-4-(2-methylpropyl)benzene1-isobutyl-4-s-butylbenzeneSCHEMBL9443904SCHEMBL28289491DTXSID90335257ABKIAULFUACPBW-UHFFFAOYSA-N
Database identifiers
- CAS
62449-90-5- PubChem CID
- 524166
- DTXSID
DTXSID90335257- Nikkaji
- J481.521A
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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