2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol
Basic information
- CAS
33243-76-4- Standard SMILES
C#CC(C)(CC)OC(O)C(Cl)(Cl)Cl- InChIKey
JNEIKGVABVJVOP-UHFFFAOYSA-N- Molecular formula
- C8H11Cl3O2
- Average molar mass
- 245.5 g/mol
- Monoisotopic mass
- 243.982463
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol
- IUPAC
- 2,2,2-trichloro-1-(3-methylpent-1-yn-3-yloxy)ethanol
Names & synonyms
33243-76-4DTXSID909548862,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol2,2,2-Trichloro-1-[(3-methylpent-1-yn-3-yl)oxy]ethan-1-olRefChem:1058930DTXCID801382895ETHANOL, 1-(1-ETHYL-1-METHYL-2-PROPYNYLOXY)-2,2,2-TRICHLORO-NC 1457BRN 1708184(2,2,2-Trichloro-1-(1-ethyl-1-methyl-(2-propyne-1-oxy))ethanol)
Database identifiers
- CAS
33243-76-4- PubChem CID
- 36389
- DTXSID
DTXSID90954886
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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