Cyclododecyne
Basic information
- CAS
1129-90-4- Standard SMILES
C1#CCCCCCCCCCC1- InChIKey
BYDOJAHKOHCERE-UHFFFAOYSA-N- Molecular formula
- C12H20
- Average molar mass
- 164.29 g/mol
- Monoisotopic mass
- 164.15650064
Overview
Cyclododecyne is a cycloalkyne.
Names & identifiers
- Preferred name
- Cyclododecyne
- IUPAC
- cyclododecyne
- English name
- cyclododecyne
- Molecular formula
- C12H20
- Molecular weight
- 164.29
Names & synonyms
Cyclododecyne1129-90-4CHEBI:37819DTXSID30150209RefChem:129461DTXCID2072700BYDOJAHKOHCERE-UHFFFAOYSA-N1-Cyclododecyne1-Cyclododecyne #SCHEMBL563490SCHEMBL1110066SCHEMBL5575725
Show more names
Cyclododecan-1-yne
SCHEMBL9246719DB-243305Q27117279
Database identifiers
- CAS
1129-90-4- PubChem CID
- 136909
- DTXSID
DTXSID30150209- ChEBI
CHEBI:37819- Nikkaji
- J125.077I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 106 · 106-109 °C(Press: 11 Torr)
- Density
- 0.85 · 0.85±0.1 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Cyclododecyne is a cycloalkyne.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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