1,3,5,7-Octatetrayne

HCID 138680

Notes Reactions

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Basic information

CAS: 6165-96-4
Standard SMILES: C#CC#CC#CC#C
InChIKey: CDGAYCHXIBGGNI-UHFFFAOYSA-N
Molecular formula: C8H2
Average molar mass: 98.1 g/mol
Monoisotopic mass: 98.01565006

Names & identifiers

Preferred name: 1,3,5,7-Octatetrayne
IUPAC: octa-1,3,5,7-tetrayne

Names & synonyms

1,3,5,7-Octatetrayne6165-96-4DTXSID40210666RefChem:1052540DTXCID70133157octa-1,3,5,7-tetrayneoctatetrayneCH.equiv.CC.equiv.CC.equiv.CC.equiv.CHOCTATETRAYNYL RADICALSCHEMBL183283H(C=C)4HSCHEMBL8770026

Show more names

SCHEMBL8770031CDGAYCHXIBGGNI-UHFFFAOYSA-NH-(C=C)4-HQ7076757

Database identifiers

CAS: 6165-96-4
PubChem CID: 138680
DTXSID: DTXSID40210666
Nikkaji: J1.287.488J、J785.535D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 251

Related reactions

3 records

New reaction record

HRID 1063886As reactantuspto-grants-2005_11

HRID 1992692As reactantuspto-grants-2010_01

HRID 2226367As reactantuspto-grants-1994_09

Compound notes

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