Basic information
- CAS
2080-89-9- Standard SMILES
C=CC(=CCC)CC- InChIKey
XTEHSUDXCMUZEH-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 3-Ethyl-hexadiene
- IUPAC
- 3-ethylhexa-1,3-diene
Names & synonyms
3-ethyl-hexadiene3-ethylhexa-1,3-dieneSCHEMBL675003
Database identifiers
- CAS
2080-89-9- PubChem CID
- 16384
- DTXSID
DTXSID901014221
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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