1-Iodo-3-methylpent-1-yn-3-ol

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Basic information

CAS: 23700-66-5
Standard SMILES: CCC(C)(O)C#CI
InChIKey: HOWAFXIVINYAEI-UHFFFAOYSA-N
Molecular formula: C6H9IO
Average molar mass: 224.04 g/mol
Monoisotopic mass: 223.96981

Names & identifiers

Preferred name: 1-Iodo-3-methylpent-1-yn-3-ol
IUPAC: 1-iodo-3-methylpent-1-yn-3-ol

Names & synonyms

1-iodo-3-methylpent-1-yn-3-ol23700-66-5DTXSID50946505RefChem:1055645DTXCID3013747881-Iodo-3-methyl-1-pentyn-3-olBRN 17438461-Pentyn-3-ol, 1-iodo-3-methyl-SCHEMBL2127962

Database identifiers

CAS: 23700-66-5
PubChem CID: 211874
DTXSID: DTXSID50946505

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 130

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Compound notes

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