Benzene, 1,3-octadiynyl-
Basic information
- CAS
62217-45-2- Standard SMILES
CCCCC#CC#Cc1ccccc1- InChIKey
GFZZPFUTRBRBCJ-UHFFFAOYSA-N- Molecular formula
- C14H14
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.10955045
Names & identifiers
- Preferred name
- Benzene, 1,3-octadiynyl-
- IUPAC
- octa-1,3-diynylbenzene
Names & synonyms
Benzene, 1,3-octadiynyl-62217-45-2DTXSID70440691RefChem:323375DTXCID70391513(octa-1,3-diyn-1-yl)benzeneSCHEMBL15283973
Database identifiers
- CAS
62217-45-2- PubChem CID
- 10487690
- DTXSID
DTXSID70440691- Nikkaji
- J439.817C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
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Related reactions
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Compound notes
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