Basic information
- CAS
17312-80-0- Standard SMILES
CCCCCCCC(C)CC(C)C- InChIKey
WMZNFELFMFOGCC-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 2,4-Dimethylundecane
- IUPAC
- 2,4-dimethylundecane
- English name
- 2,4－Dimethyl-undecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
2,4-DIMETHYLUNDECANEUndecane, 2,4-dimethyl-17312-80-0DTXSID20873298RefChem:82559DTXCID70820797WMZNFELFMFOGCC-UHFFFAOYSA-N2,4Dimethyl-undecane2,4-DimethylundecanSCHEMBL6713492,4-DIMETHYL UNDECANESCHEMBL4275772
Show more names
2,4－Dimethyl-undecane
SCHEMBL9211702SCHEMBL10937533SCHEMBL28768680
Database identifiers
- CAS
17312-80-0- PubChem CID
- 28476
- DTXSID
DTXSID20873298- Nikkaji
- J99.435I
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 94.2
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Physicochemical properties
- Melting point
- -28.13 °C · -28.13°C (estimate)
- Boiling point
- 216 °C · 216°C
- Density
- 0.754 · 0.7540
- refractive index
- 1.4239 · 1.4239
- Henry's Law Constant
- 1.2 · 1.2×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 2 · Undecane, 2,4-dimethyl- (17312-80-0)
Chemistry & industry
Suppliers2 total
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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