Octa-1,3,6-triene
Basic information
- CAS
929-20-4- Standard SMILES
C=CC=CCC=CC- InChIKey
PKHBEGZTQNOZLP-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Names & identifiers
- Preferred name
- Octa-1,3,6-triene
- IUPAC
- octa-1,3,6-triene
- English name
- 1,3,6-Octatriene
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
octa-1,3,6-triene929-20-4DTXSID90918908RefChem:1093735DTXCID401347849but-2-enyl-buta-1,3-dieneSCHEMBL1114309SCHEMBL1334640SCHEMBL1334642SCHEMBL1542225SCHEMBL60249631,3,6-Octatriene
Database identifiers
- CAS
929-20-4- PubChem CID
- 30898
- DTXSID
DTXSID90918908
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
- 96.6
Physicochemical properties
- Boiling point
- 130 · 130-131 °C
- Density
- 0.767 g/cm3 · 0.7670 g/cm3
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Related reactions
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Compound notes
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