2,4-Dimethyl-3-phenylpentane
Basic information
- CAS
21777-84-4- Standard SMILES
CC(C)C(c1ccccc1)C(C)C- InChIKey
GKGTVJOYFGUPSA-UHFFFAOYSA-N- Molecular formula
- C13H20
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.15650064
Names & identifiers
- Preferred name
- 2,4-Dimethyl-3-phenylpentane
- IUPAC
- 2,4-dimethylpentan-3-ylbenzene
- English name
- 2,4-dimethyl-3-phenyl-pentane
- Molecular formula
- C13H20
- Molecular weight
- 176.3
Names & synonyms
2,4-Dimethyl-3-phenylpentane21777-84-4Benzene, (1-isopropyl-2-methylpropyl)-(1-Isopropyl-2-methylpropyl)benzeneDTXSID70176180Benzene, [2-methyl-1-(1-methylethyl)propyl]-.alpha.,.alpha.-DiisopropyltolueneBenzene, (2-methyl-1-(1-methylethyl)propyl)-RefChem:82508alpha,alpha-DiisopropyltolueneDTXCID6098671GKGTVJOYFGUPSA-UHFFFAOYSA-N
Show more names
[2-Methyl-1-(1-methylethyl)propyl]benzene
(2,4-DIMETHYLPENTAN-3-YL)BENZENEdi-isopropylphenylmethaneSCHEMBL825973SCHEMBL3244408SCHEMBL10946615SCHEMBL27806528(1-isopropyl-2-methyl-propyl)-benzene2,4-DIMETHYL-3-PHENYL-PENTANE
Database identifiers
- CAS
21777-84-4- PubChem CID
- 30803
- DTXSID
DTXSID70176180- Nikkaji
- J102.536H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -24.5 °C · -24.5°C
- Boiling point
- 220.7 °C · 220.7°C
- Density
- 0.8821 · 0.8821
- refractive index
- 1.512 · 1.5120
Chemistry & industry
Upstream & downstream products
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