Basic information
- CAS
7490-90-6- Standard SMILES
CCC(O)(C#CCl)CC- InChIKey
UBASENLXRNMXCM-UHFFFAOYSA-N- Molecular formula
- C7H11ClO
- Average molar mass
- 146.61 g/mol
- Monoisotopic mass
- 146.0498427
Names & identifiers
- Preferred name
- 1-Pentyn-3-ol, 1-chloro-3-ethyl-
- IUPAC
- 1-chloro-3-ethylpent-1-yn-3-ol
Names & synonyms
1-Pentyn-3-ol, 1-chloro-3-ethyl-Diethyl chloroethyne carbinol3-Pentanol, 3-(chloroethynyl)-1-CHLORO-3-ETHYL-1-PENTYN-3-OL7490-90-68DFP35P6TLNSC-14252NSC-81878DTXSID00225877RefChem:1056263DTXCID30148368Chlordiethynol
Show more names
NSC 142521-chloro-3-ethylpent-1-yn-3-olNSC 81878BRN 1746829UNII-8DFP35P6TLNCIOpen2_0008384-01-00-02255 (Beilstein Handbook Reference)NSC14252
Database identifiers
- CAS
7490-90-6- PubChem CID
- 24092
- DTXSID
DTXSID00225877- UNII
- 8DFP35P6TL
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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