2,5,5-Trimethyl-1-hexene
Basic information
- CAS
62185-56-2- Standard SMILES
C=C(C)CCC(C)(C)C- InChIKey
GBQMYJAPIDGHKW-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- 2,5,5-Trimethyl-1-hexene
- IUPAC
- 2,5,5-trimethylhex-1-ene
- English name
- 2,5,5-Trimethyl-1-hexene
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
2,5,5-Trimethyl-1-hexene62185-56-2DTXSID00338012RefChem:1059996DTXCID402890992,5,5-trimethylhex-1-ene1-Hexene, 2,5,5-trimethyl-SCHEMBL791153SCHEMBL70210652,5,5-Trimethyl-1-hexene #GBQMYJAPIDGHKW-UHFFFAOYSA-NDB-355245
Database identifiers
- CAS
62185-56-2- PubChem CID
- 545898
- DTXSID
DTXSID00338012- Nikkaji
- J125.081G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Physicochemical properties
- Boiling point
- 132 · 132.0±7.0 °C(Predicted)
- Density
- 0.733 · 0.733±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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