Basic information
- CAS
6304-50-3- Standard SMILES
CC(CCCCC(C)CC(C)(C)C)CC(C)(C)C- InChIKey
NJOPDRPUVCALJM-UHFFFAOYSA-N- Molecular formula
- C18H38
- Average molar mass
- 254.5 g/mol
- Monoisotopic mass
- 254.29735121
Names & identifiers
- Preferred name
- 2,2,4,9,11,11-Hexamethyldodecane
- IUPAC
- 2,2,4,9,11,11-hexamethyldodecane
- English name
- 2,2,4,9,11,11-Hexamethyldodecane
- Molecular formula
- C18H38
- Molecular weight
- 254.49
Names & synonyms
6304-50-32,2,4,9,11,11-HexamethyldodecaneNSC42965SCHEMBL11234826DTXSID002858302,4,9,11,11-HexamethyldodecaneNSC-42965Dodecane,2,4,9,11,11-hexamethyl-2,2,4,9,11,11-hexamethyl-dodecaneDodecane, 2,2,4,9,11,11-hexamethyl-
Database identifiers
- CAS
6304-50-3- PubChem CID
- 238540
- DTXSID
DTXSID00285830- Nikkaji
- J103.569J
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 138.5 °C · 138.5 °C(Press: 10 Torr)
- Density
- 0.779 · 0.779±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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