Basic information
- CAS
4170-07-4- Standard SMILES
CCC(CC)(CC)c1ccccc1- InChIKey
WLVNEALRNQEPMS-UHFFFAOYSA-N- Molecular formula
- C13H20
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.15650064
Names & identifiers
- Preferred name
- (1,1-Diethylpropyl)benzene
- IUPAC
- 3-ethylpentan-3-ylbenzene
- English name
- (1,1-Diethylpropyl)benzene
- Molecular formula
- C13H20
- Molecular weight
- 176.3
Names & synonyms
(1,1-DIETHYLPROPYL)BENZENEBenzene, (1,1-diethylpropyl)-DTXSID008809254170-07-4RefChem:68077DTXCID001022267WLVNEALRNQEPMS-UHFFFAOYSA-N4170-84-7(3-ethylpentan-3-yl)benzeneTriaethylphenylmethanSCHEMBL821008SCHEMBL2170468
Show more names
3-ethylpentan-3-ylbenzenebenzene,(1,1-diethylpropyl)-
SCHEMBL28644802AKOS006272084NS00095914
Database identifiers
- CAS
4170-07-4、4170-84-7- PubChem CID
- 20136
- DTXSID
DTXSID00880925- Nikkaji
- J114.046I
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
- 119
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 220 · 220-222 °C
- Density
- 0.8656 g/cm3 · 0.8656 g/cm3(Temp: 25 °C)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…