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Basic information
- CAS
64531-26-6- Standard SMILES
CCCCCCC#CCl- InChIKey
DQCZBJYOVVSCBH-UHFFFAOYSA-N- Molecular formula
- C8H13Cl
- Average molar mass
- 144.64 g/mol
- Monoisotopic mass
- 144.0705781
Names & identifiers
- Preferred name
- 1-Chloro-1-octyne
- IUPAC
- 1-chlorooct-1-yne
Names & synonyms
1-chloro-1-octyne1-chlorooct-1-yne1-Octyne, 1-chloro-64531-26-61-chloro-oct-1-yneSCHEMBL9860721DTXSID50452898DQCZBJYOVVSCBH-UHFFFAOYSA-N
Database identifiers
- CAS
64531-26-6- PubChem CID
- 11040825
- DTXSID
DTXSID50452898- Nikkaji
- J270.980E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
3 records
Compound notes
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