Basic information
- CAS
2132-86-7- Standard SMILES
CCCC(C)(CC)c1ccccc1- InChIKey
NZFVWAOONXJZIQ-UHFFFAOYSA-N- Molecular formula
- C13H20
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.15650064
Names & identifiers
- Preferred name
- Benzene, (1-propylbutyl)-
- IUPAC
- 3-methylhexan-3-ylbenzene
- English name
- Benzene, (1-propylbutyl)-
- Molecular formula
- C13H20
- Molecular weight
- 176.3
Names & synonyms
2132-86-7RefChem:1078202Benzene, (1-propylbutyl)-(3-methylhexan-3-yl)benzene3-Methyl-3-phenylhexane(1-ethyl-1-methylbutyl)benzene4468-40-0SCHEMBL597345DTXSID70274574DTXSID70943839GIMKIOCRQZVNND-UHFFFAOYSA-N(4-heptyl)benzene
Show more names
1-Propylbutylbenzene(1-Propylbutyl)benzene
Database identifiers
- CAS
2132-86-7、4468-40-0- PubChem CID
- 16485
- DTXSID
DTXSID70274574- Nikkaji
- J114.047G
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
- 13
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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