(3Z,6E)-1,3,6-Octatriene
Basic information
- CAS
22038-68-2- Standard SMILES
C=C/C=C\C/C=C/C- InChIKey
PKHBEGZTQNOZLP-GUBXDBFYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Names & identifiers
- Preferred name
- (3Z,6E)-1,3,6-Octatriene
- IUPAC
- (3Z,6E)-octa-1,3,6-triene
- English name
- (3Z,6E)-1,3,6-Octatriene
- Molecular weight
- 0
Names & synonyms
(3Z,6E)-1,3,6-Octatriene1,cis-3,trans-6-Octatriene1,3,6-Octatriene, (Z,E)-PKHBEGZTQNOZLP-GUBXDBFYSA-NDTXSID901384775(3Z,6E)-1,3,6-Octatriene #22038-68-2
Database identifiers
- CAS
22038-68-2- PubChem CID
- 5367388
- DTXSID
DTXSID901384775- Nikkaji
- J125.003E
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
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Related reactions
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Compound notes
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