Basic information
- CAS
4032-92-2- Standard SMILES
CCCC(C)(C)CC(C)C- InChIKey
QALGVLROELGEEM-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- Heptane, 2,4,4-trimethyl-
- IUPAC
- 2,4,4-trimethylheptane
Names & synonyms
Heptane, 2,4,4-trimethyl-4032-92-2DTXSID00193325RefChem:1086434DTXCID101158162,4,4-TrimethylheptaneSCHEMBL598457SCHEMBL1007621SCHEMBL1933630SCHEMBL5357525SCHEMBL5985045Q5651201
Database identifiers
- CAS
4032-92-2- PubChem CID
- 77653
- DTXSID
DTXSID00193325- Nikkaji
- J1.553.698E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 80
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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