Molecule ID: 5281077

IUPAC Name: (E)-1-chloro-3-ethylpent-1-en-4-yn-3-ol

Description: The molecule is propargyl alcohol in which the methylene hydrogens are substituted by ethyl and 2-chlorovinyl groups. A hypnotic and sedative, it is used for treatment of insomnia in some cases where an intolerance or allergy to more commonly used drugs exists. It has a role as a sedative. It is a tertiary alcohol, an organochlorine compound, an enyne and a terminal acetylenic compound.

SMILES: C#CC(O)(/C=C/Cl)CC

SELFIES: [C][#C][C][Branch1][C][O][Branch1][Ring2][/C][=C][/Cl][C][C]

InChI: InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 1.5