5-Bromo-3-methylpent-1-en-4-yn-3-ol
Basic information
- CAS
25457-78-7- Standard SMILES
C=CC(C)(O)C#CBr- InChIKey
BVDFRFZHZDLMNP-UHFFFAOYSA-N- Molecular formula
- C6H7BrO
- Average molar mass
- 175.02 g/mol
- Monoisotopic mass
- 173.96803
Names & identifiers
- Preferred name
- 5-Bromo-3-methylpent-1-en-4-yn-3-ol
- IUPAC
- 5-bromo-3-methylpent-1-en-4-yn-3-ol
Names & synonyms
5-bromo-3-methylpent-1-en-4-yn-3-ol25457-78-7DTXSID70948344RefChem:1072726DTXCID801376577BRN 17470665-Bromo-3-methyl-1-penten-4-yn-3-ol1-Penten-4-yn-3-ol, 5-bromo-3-methyl-4-01-00-02310 (Beilstein Handbook Reference)
Database identifiers
- CAS
25457-78-7- PubChem CID
- 213073
- DTXSID
DTXSID70948344
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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