Basic information
- CAS
13427-43-5- Standard SMILES
C=CC(C)(C)CC(C)C- InChIKey
JWKWSKMAPDHZIR-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- 3,3,5-Trimethyl-1-hexene
- IUPAC
- 3,3,5-trimethylhex-1-ene
- English name
- 3,3,5-Trimethyl-1-hexene
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
3,3,5-TRIMETHYL-1-HEXENE13427-43-5DTXSID90158620RefChem:1065575DTXCID20811113,3,5-trimethylhex-1-ene1-Hexene, 3,3,5-trimethyl-SCHEMBL790336SCHEMBL89607403,3,5-Trimethyl-1-hexene #
Database identifiers
- CAS
13427-43-5- PubChem CID
- 25980
- DTXSID
DTXSID90158620- Nikkaji
- J142.907H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 121 · 121-121.5 °C(Press: 747 Torr)
- Density
- 0.7271 g/cm3 · 0.7271 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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