1,3-Hexadiene, 3-ethyl-2,5-dimethyl-
Basic information
- CAS
62338-07-2- Standard SMILES
C=C(C)C(=CC(C)C)CC- InChIKey
RDFFKERPGUXBGR-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Names & identifiers
- Preferred name
- 1,3-Hexadiene, 3-ethyl-2,5-dimethyl-
- IUPAC
- 3-ethyl-2,5-dimethylhexa-1,3-diene
- English name
- 2,5-Dimethyl-3-ethyl-1,3-hexadiene
- Molecular formula
- C10H18
- Molecular weight
- 138.25
Names & synonyms
1,3-Hexadiene, 3-ethyl-2,5-dimethyl-62338-07-2DTXSID00338431RefChem:219225DTXCID602895163-ethyl-2,5-dimethylhexa-1,3-diene3-ethyl-2,5-dimethyl-1,3-hexadiene2,5-Dimethyl-3-ethyl-1,3-hexadieneDB-302468
Database identifiers
- CAS
62338-07-2- PubChem CID
- 549065
- DTXSID
DTXSID00338431
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 169.3 · 169.3±7.0 °C(Predicted)
- Density
- 0.758 · 0.758±0.06 g/cm3(Predicted)
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Compound notes
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