Basic information
- CAS
20278-84-6- Standard SMILES
CCC(C)C(C)CC(C)C- InChIKey
YMBNRMDSLJNNPF-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 2,4,5-Trimethylheptane
- IUPAC
- 2,4,5-trimethylheptane
Names & synonyms
2,4,5-TrimethylheptaneDTXSID50871308RefChem:1059583DTXCID90818979Heptane, 2,4,5-trimethyl-20278-84-6SCHEMBL598787SCHEMBL5983983SCHEMBL9438243SCHEMBL10482863SCHEMBL15170454Q5651207
Database identifiers
- CAS
20278-84-6- PubChem CID
- 89303
- DTXSID
DTXSID50871308- Nikkaji
- J1.608.992C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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