Ethyl 2,6-dichloro-2-hexen-4-ynoate
Basic information
- CAS
99805-30-8- Standard SMILES
CCOC(=O)C(Cl)=CC#CCCl- InChIKey
ZFGUKDRLJLADMU-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2O2
- Average molar mass
- 207.05 g/mol
- Monoisotopic mass
- 205.9901349
Names & identifiers
- Preferred name
- Ethyl 2,6-dichloro-2-hexen-4-ynoate
- IUPAC
- ethyl 2,6-dichlorohex-2-en-4-ynoate
Names & synonyms
Ethyl 2,6-dichloro-2-hexen-4-ynoateSCHEMBL10463251DTXSID301295041ethyl 2,6-dichlorohex-2-en-4-ynoate99805-30-8
Database identifiers
- CAS
99805-30-8- PubChem CID
- 54544003
- DTXSID
DTXSID301295041
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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