Basic information
- CAS
6565-55-5- Standard SMILES
CCC(C)c1cc(C(C)CC)cc(C(C)CC)c1- InChIKey
LNCLJYZMKXSECB-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Names & identifiers
- Preferred name
- Benzene, 1,3,5-tris(1-methylpropyl)-
- IUPAC
- 1,3,5-tri(butan-2-yl)benzene
- English name
- 1,3,5-Tris(1-methylpropyl)benzene
- Molecular formula
- C18H30
- Molecular weight
- 246.43
Names & synonyms
Benzene, 1,3,5-tris(1-methylpropyl)-Benzene, 1,3,5-tri-sec-butyl-1,3,5-tri(butan-2-yl)benzene1,3,5-Tri-sec-butylbenzene1,3,5-tris(1-methylpropyl)benzene6565-55-51,3,5-Tri-s-butylbenzeneSCHEMBL145537SCHEMBL4256624SCHEMBL11686432DTXSID00334872LNCLJYZMKXSECB-UHFFFAOYSA-N
Show more names
1,3,5-Tri(sec-butyl)benzene
Database identifiers
- CAS
6565-55-5- PubChem CID
- 522178
- DTXSID
DTXSID00334872- Nikkaji
- J102.850B
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 154 · 154-160 °C(Press: 12 Torr)
- Density
- 0.8719 g/cm3 · 0.8719 g/cm3(Temp: 18 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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