1,6-Octadiyne

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Basic information

CAS: 764-72-7
Standard SMILES: C#CCCCC#CC
InChIKey: HUPKWBBKMAGWFY-UHFFFAOYSA-N
Molecular formula: C8H10
Average molar mass: 106.16 g/mol
Monoisotopic mass: 106.07825032

Names & identifiers

Preferred name: 1,6-Octadiyne
IUPAC: octa-1,6-diyne

Names & synonyms

1,6-Octadiyne764-72-7RefChem:73643HUPKWBBKMAGWFY-UHFFFAOYSA-Nocta-1,6-diyneSCHEMBL3985228SCHEMBL6364726SCHEMBL6371501SCHEMBL7169037SCHEMBL8769433SCHEMBL8769480DTXSID601317547

Show more names

AKOS006238554

Database identifiers

CAS: 764-72-7
PubChem CID: 524955
DTXSID: DTXSID601317547
Nikkaji: J792.554I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 143

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Compound notes

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