2,5-Octadiene
Basic information
- CAS
63216-69-3- Standard SMILES
CC=CCC=CCC- InChIKey
GDDAJHJRAKOILH-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 2,5-Octadiene
- IUPAC
- octa-2,5-diene
- English name
- 2,5-Octadiene
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
2,5-Octadiene63216-69-3DTXSID50334847RefChem:247731DTXCID00285936GDDAJHJRAKOILH-QFXXITGJSA-Nocta-2,5-dieneSCHEMBL59993SCHEMBL104970SCHEMBL354037SCHEMBL1112538SCHEMBL1112540
Show more names
SCHEMBL1113102SCHEMBL1114333SCHEMBL1325015SCHEMBL6637706SCHEMBL16004799
Database identifiers
- CAS
63216-69-3- PubChem CID
- 522087
- DTXSID
DTXSID50334847
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78
Physicochemical properties
- Boiling point
- 123.3 · 123.3±10.0 °C(Predicted)
- Density
- 0.745 · 0.745±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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