Ethchlorvynol, (Z)-
Basic information
- CAS
1071669-54-9- Standard SMILES
C#CC(O)(/C=C\Cl)CC- InChIKey
ZEHYJZXQEQOSON-WAYWQWQTSA-N- Molecular formula
- C7H9ClO
- Average molar mass
- 144.6 g/mol
- Monoisotopic mass
- 144.0341926
Names & identifiers
- Preferred name
- Ethchlorvynol, (Z)-
- IUPAC
- (Z)-1-chloro-3-ethylpent-1-en-4-yn-3-ol
Names & synonyms
Ethchlorvynol, (Z)-XG4214OYOYUNII-XG4214OYOY1071669-54-93-(.beta.-chlorovinyl)-1-pentyn-3-ol.beta.-Chlorovinyl ethyl ethynyl carbinolCHEMBL3559833NSC30372WLN: G1U1XQ2 & 1UU1(1Z)-1-chloro-3-ethylpent-1-en-4-yn-3-ol
Database identifiers
- CAS
1071669-54-9、113-18-8- PubChem CID
- 5284556
- ChEMBL
CHEMBL3559833- UNII
- XG4214OYOY
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
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