Basic information
- CAS
7225-67-4- Standard SMILES
CC(CC(C)(C)C(C)(C)C)C(C)(C)C- InChIKey
OTNCYIBPUVFLLZ-UHFFFAOYSA-N- Molecular formula
- C14H30
- Average molar mass
- 198.39 g/mol
- Monoisotopic mass
- 198.23475096
Names & identifiers
- Preferred name
- 2,2,3,3,5,6,6-Heptamethylheptane
- IUPAC
- 2,2,3,3,5,6,6-heptamethylheptane
- English name
- 2,2,3,3,5,6,6-Heptamethylheptane
- Molecular formula
- C14H30
- Molecular weight
- 198.39
Names & synonyms
2,2,3,3,5,6,6-HEPTAMETHYLHEPTANE7225-67-4DTXSID20864025RefChem:1058964DTXCID508125792,2,3,3,5,6,6-heptamethyl-heptaneNSC109494Heptane, 2,2,3,3,5,6,6-heptamethyl-SCHEMBL6719912,3,3,5,6,6-HeptamethylheptaneHeptane,2,3,3,5,6,6-heptamethyl-NSC 109494
Show more names
NSC-1094942,2,3,3,5,6,6-hep-tamethylheptaneDS-006417
Database identifiers
- CAS
7225-67-4- PubChem CID
- 23652
- DTXSID
DTXSID20864025- Nikkaji
- J114.120A
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -23.46 °C · -23.46°C (estimate)
- Boiling point
- 226.77 °C · 226.77°C (estimate)
- Density
- 0.7624 · 0.7624 (estimate)
- refractive index
- 1.4125 · 1.4125 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…