1,1'-(3-Methylbutane-1,3-diyl)dibenzene
Basic information
- CAS
1520-43-0- Standard SMILES
CC(C)(CCc1ccccc1)c1ccccc1- InChIKey
RINORDAAAOQWBA-UHFFFAOYSA-N- Molecular formula
- C17H20
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.15650064
Names & identifiers
- Preferred name
- 1,1'-(3-Methylbutane-1,3-diyl)dibenzene
- IUPAC
- (2-methyl-4-phenylbutan-2-yl)benzene
- English name
- 1,1'-(1,1-Dimethyl-1,3-propanediyl)bisbenzene
- Molecular formula
- C17H20
- Molecular weight
- 224.34
Names & synonyms
1520-43-0DTXSID202881461,1'-(3-Methylbutane-1,3-diyl)dibenzeneRefChem:212000DTXCID602392931,3-diphenyl-3-methylbutane(2-methyl-4-phenylbutan-2-yl)benzene(3-methylbutane-1,3-diyl)dibenzeneNSC543771,1/'-(1,1-Dimethyl-1,3-propanediyl)bisbenzeneSCHEMBL3962014SCHEMBL6226069
Show more names
3-Methyl-1,3-diphenylbutane2,4-bis-(phenyl)-2-methylbutane1,1'-(1,1-Dimethyl-1,3-propanediyl)bisbenzeneBenzene, 1,1'-(1,1-dimethyl-1,3-propanediyl)bis- (9CI)
SCHEMBL6745723SCHEMBL12815449SCHEMBL27479368RINORDAAAOQWBA-UHFFFAOYSA-NNSC-54377
Database identifiers
- CAS
1520-43-0- PubChem CID
- 244015
- DTXSID
DTXSID20288146- Nikkaji
- J134.860D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 115 · 115-119 °C(Press: 1.5 Torr)
- Density
- 0.9879 g/cm3 · 0.9879 g/cm3
Related reactions
4 records
Compound notes
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