Basic information
- CAS
113-18-8- Standard SMILES
C#CC(O)(C=CCl)CC- InChIKey
ZEHYJZXQEQOSON-UHFFFAOYSA-N- Molecular formula
- C7H9ClO
- Average molar mass
- 144.6 g/mol
- Monoisotopic mass
- 144.0341926
Names & identifiers
- Preferred name
- Ethchlorvynol (1.0mg/ml in Acetonitrile)
- IUPAC
- 1-chloro-3-ethylpent-1-en-4-yn-3-ol
Names & synonyms
Ethchlorvynol (1.0mg/ml in Acetonitrile)SCHEMBL113591CID 3281FE22854NS00067935
Database identifiers
- CAS
113-18-8- PubChem CID
- 3281
- DTXSID
DTXSID2023010
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP1.8
Solubility1.43e-01 g/L
Melting Point< 25 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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