Basic information
- CAS
3035-75-4- Standard SMILES
CC(CCC(CCC(C)CC(C)(C)C)CCC(C)CC(C)(C)C)CC(C)(C)C- InChIKey
VJDJSJSGMRWTIK-UHFFFAOYSA-N- Molecular formula
- C28H58
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.45385185
Names & identifiers
- Preferred name
- 2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
- IUPAC
- 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
- English name
- 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
- Molecular formula
- C28H58
- Molecular weight
- 394.76
Names & synonyms
2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane3035-75-4DTXSID40952695NSC 169762RefChem:80848DTXCID601380774Tridecane, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-NSC169762SCHEMBL17581543VJDJSJSGMRWTIK-UHFFFAOYSA-NNSC-1697622,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
Show more names
2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl) tridecaneTridecane,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-
Database identifiers
- CAS
3035-75-4- PubChem CID
- 137802
- DTXSID
DTXSID40952695- Nikkaji
- J145.402A
Properties
Computed structural properties
- XLogP
- 12.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 17 °C · 17°C (estimate)
- Boiling point
- 417.35 °C · 417.35°C (estimate)
- Density
- 0.8043 · 0.8043
- refractive index
- 1.4558 · 1.4558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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