1-Bromo-3-methyl-1-pentyn-3-ol
Basic information
- CAS
2028-52-6- Standard SMILES
CCC(C)(O)C#CBr- InChIKey
KGKSTPKEAQNJJD-UHFFFAOYSA-N- Molecular formula
- C6H9BrO
- Average molar mass
- 177.04 g/mol
- Monoisotopic mass
- 175.98368
Names & identifiers
- Preferred name
- 1-Bromo-3-methyl-1-pentyn-3-ol
- IUPAC
- 1-bromo-3-methylpent-1-yn-3-ol
- English name
- 1-Bromo-3-methyl-1-pentyn-3-ol
- Molecular formula
- C6H9BrO
- Molecular weight
- 177.04
Names & synonyms
1-Bromo-3-methyl-1-pentyn-3-ol2028-52-61-Pentyn-3-ol, 1-bromo-3-methyl-RefChem:1055044Bason2-Bromoethynyl-2-butanolBromoethynylethylmethylcarbinol1-Bromo-3-methylpentin-3-olBromoacetylenylethylmethylcarbinol1-Bromo-3-ethyl-1-butyn-3-ol1-bromo-3-methylpent-1-yn-3-olBRN 1743845
Show more names
AI3-23719DTXSID50942401
Database identifiers
- CAS
2028-52-6- PubChem CID
- 102199
- DTXSID
DTXSID50942401- Nikkaji
- J49.982J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Density
- 1.3094 · 1.3094 (rough estimate)
- refractive index
- 1.5169 · 1.5169 (estimate)
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Compound notes
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