Cyclooctyne
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Basic information
- CAS
1781-78-8- Standard SMILES
C1#CCCCCCC1- InChIKey
ZPWOOKQUDFIEIX-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Overview
Cyclooctyne is a cycloalkyne.
Names & identifiers
- Preferred name
- Cyclooctyne
- IUPAC
- cyclooctyne
- English name
- cyclooctyne
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
Cyclooctyne1781-78-8UNII-35MR2L5G3W35MR2L5G3WCYCLOOCTYNE [MI]CHEBI:37815DTXSID50170424RefChem:129817DTXCID9092915InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-6HZPWOOKQUDFIEIX-UHFFFAOYSA-N1-Cyclooctyne
Show more names
Cycloocta-1-yne
1-Cyclooctyne #SCHEMBL105791SCHEMBL181001SCHEMBL1110026SCHEMBL3199297SCHEMBL16594442Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1)Q3676516
Database identifiers
- CAS
1781-78-8- PubChem CID
- 137207
- DTXSID
DTXSID50170424- ChEBI
CHEBI:37815- UNII
- 35MR2L5G3W
- Nikkaji
- J80.315D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.5
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -34 ° · -34° to-32°
- Boiling point
- 740 · bp740 157.5-158°; bp20 50-55°
- Density
- 420 · d420 0.868
- refractive index
- 20 · nD20 1.4876
- FDA UNII
- 35 MR2L5G3W · 35MR2L5G3W
Chemistry & industry
Applications
UsesBuilding block in cycloaddition reactions.
Additional notes
DefinitionChEBI: Cyclooctyne is a cycloalkyne.
Related reactions
1 records
Compound notes
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