Pentane, 2,4-dimethyl-3-methylene-
Basic information
- CAS
111823-35-9- Standard SMILES
C=C(C(C)C)C(C)C- InChIKey
GIBPFTYFAOOKOV-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- Pentane, 2,4-dimethyl-3-methylene-
- IUPAC
- 2,4-dimethyl-3-methylidenepentane
- English name
- 1,1-Diisopropylethylene
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
111823-35-9DTXSID60897352RefChem:1094494DTXCID001326716Pentane, 2,4-dimethyl-3-methylene-2,4-dimethyl-3-methylidenepentane3-METHYL-2-ISO-PROPYL-1-BUTENE2,4-Dimethyl-3-methylenepentane1-Butene, 3-methyl-2-(1-methylethyl)SCHEMBL4751424SCHEMBL69472532-Isopropyl-3-methylbut-1-ene
Show more names
SCHEMBL106056152,4-dimethyl-3-methylene-pentaneMFCD00049105AKOS0062753833-methyl-2-(1-methylethyl)-1-butenePentane, 2,a4-adimethyl-a3-amethylene-SY373067
Database identifiers
- CAS
111823-35-9- PubChem CID
- 528376
- DTXSID
DTXSID60897352- Nikkaji
- J785.689J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -103.01 °C · -103.01°C (estimate)
- Boiling point
- 120.2 °C · 120.2°C (estimate)
- Density
- 0.718 · 0.7180
- refractive index
- 1.4061 · 1.4061
- Henry's Law Constant
- 1.3 · 1.3×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
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Compound notes
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