3,7-Dimethyldecane
Basic information
- CAS
17312-54-8- Standard SMILES
CCCC(C)CCCC(C)CC- InChIKey
VDAVEASVPZDNQB-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Overview
3,7-dimethyldecane is an alkane.
Names & identifiers
- Preferred name
- 3,7-Dimethyldecane
- IUPAC
- 3,7-dimethyldecane
- English name
- 3,7-dimethyldecane
- Molecular formula
- C12H26
- Molecular weight
- 170.33
Names & synonyms
3,7-DIMETHYLDECANE17312-54-8DTXSID80864768RefChem:487725DTXCID30813246Decane, 3,7-dimethyl-3,7-Dimethyldecane #SCHEMBL306017SCHEMBL306018DECANE,3,7-DIMETHYL-SCHEMBL1810424SCHEMBL2379129
Show more names
3,7-Dimethyl-decan
SCHEMBL4448836SCHEMBL11722954SCHEMBL29060222CHEBI:183292LMFA11000382NS00096288
Database identifiers
- CAS
17312-54-8- PubChem CID
- 28468
- DTXSID
DTXSID80864768- ChEBI
CHEBI:183292- Nikkaji
- J1.557.123C
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 86
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -50.8 °C · -50.8°C (estimate)
- Boiling point
- 202 °C · 202°C
- Density
- 0.7513 · 0.7513
- refractive index
- 1.4217 · 1.4217
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Additional notes
DefinitionChEBI: 3,7-dimethyl-Decane is an alkane.
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Related reactions
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Compound notes
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