Basic information
- CAS
62108-23-0- Standard SMILES
CCCCC(C)C(C)CCC(C)C- InChIKey
HBEWRUSPWIMDCH-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- Decane, 2,5,6-trimethyl-
- IUPAC
- 2,5,6-trimethyldecane
- English name
- Trimethyldecane, 2,5,6-
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
2,5,6-TrimethyldecaneDecane, 2,5,6-trimethyl-62108-23-0DTXSID50866911RefChem:131181DTXCID90815140HBEWRUSPWIMDCH-UHFFFAOYSA-NTrimethyldecane, 2,5,6-starbld00454002,5,6-Trimethyldecane #orb1986171SCHEMBL1615053
Show more names
DECANE, 2,5,6-TRIMETHY LAKOS040751493NS00096061T31324
Database identifiers
- CAS
62108-23-0- PubChem CID
- 112466
- DTXSID
DTXSID50866911- Nikkaji
- J121.160I
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 215.7 · 215.7±7.0 °C(Predicted)
- Density
- 0.754 · 0.754±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Decane, 2,5,6-trimethyl- (62108-23-0)
Chemistry & industry
Applications
Uses2,5,6-Trimethyldecane is a volatile organic substance which occurs as a result of synthetic environments such as carwash effluent tanks as well as coal pyrolysis.
Suppliers2 total
深圳市简一生物科技有限公司0755-84826604 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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