3,8-Dimethyldecane

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Basic information

CAS: 17312-55-9
Standard SMILES: CCC(C)CCCCC(C)CC
InChIKey: KMAHIPNGGSOJSM-UHFFFAOYSA-N
Molecular formula: C12H26
Average molar mass: 170.33 g/mol
Monoisotopic mass: 170.20345083

Names & identifiers

Preferred name: 3,8-Dimethyldecane
IUPAC: 3,8-dimethyldecane
English name: Decane,3,8-dimethyl-
Molecular formula: C12H26
Molecular weight: 170.33

Names & synonyms

3,8-Dimethyldecane17312-55-9DTXSID30333999RefChem:1066225DTXCID20965001Decane, 3,8-dimethyl-DECANE,3,8-DIMETHYL-SCHEMBL1805229SCHEMBL3114111SCHEMBL5651718SCHEMBL17607412DECANE,3,8-DIMETHYL-DECANE

Database identifiers

CAS: 17312-55-9
PubChem CID: 519396
DTXSID: DTXSID30333999
Nikkaji: J124.786G

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 74

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -50.8 °C · -50.8°C (estimate)
Boiling point: 205 °C · 205°C
Density: 0.7519 · 0.7519
refractive index: 1.422 · 1.4220
Henry's Law Constant: 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)

Chemistry & industry

Applications

Uses3,8-Dimethyldecane is a useful research chemical compound used in the selective isomerization of hydrocarbon chains.

Upstream & downstream products

Upstream raw materials

Octane, 3,4,5,6-tetramethyl-Nonane, 3-ethyl-7-methyl-Hexane, 3,4-diethyl-3,4-dimethyl-Heptane, 3-ethyl-3,4,5-trimethyl-Octane, 6-ethyl-3,4-dimethyl-Octane, 3-ethyl-3,6-dimethyl-Octane, 3,6-diethyl-Heptane, 3,5-diethyl-3-methyl-

Related reactions

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Compound notes

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