1-(2-((3-Iodoprop-2-yn-1-yl)oxy)ethoxy)butane
Basic information
- CAS
89635-85-8- Standard SMILES
CCCCOCCOCC#CI- InChIKey
DXCYDAWDWFWLDD-UHFFFAOYSA-N- Molecular formula
- C9H15IO2
- Average molar mass
- 282.12 g/mol
- Monoisotopic mass
- 282.01168
Names & identifiers
- Preferred name
- 1-(2-((3-Iodoprop-2-yn-1-yl)oxy)ethoxy)butane
- IUPAC
- 1-[2-(3-iodoprop-2-ynoxy)ethoxy]butane
Names & synonyms
89635-85-81-(2-((3-Iodoprop-2-yn-1-yl)oxy)ethoxy)butane1-{2-[(3-Iodoprop-2-yn-1-yl)oxy]ethoxy}butaneDTXSID90533276
Database identifiers
- CAS
89635-85-8- PubChem CID
- 13267753
- DTXSID
DTXSID90533276
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
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Compound notes
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