1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-
Basic information
- CAS
99566-38-8- Standard SMILES
C#C[C@@H](O)/C(C)=C/c1ccccc1- InChIKey
BMCKXXHUTIZOHD-BZYZDCJZSA-N- Molecular formula
- C12H12O
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.088815
Names & identifiers
- Preferred name
- 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-
- IUPAC
- (E,3R)-2-methyl-1-phenylpent-1-en-4-yn-3-ol
Names & synonyms
1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-99566-38-8
Database identifiers
- CAS
99566-38-8- PubChem CID
- 6443239
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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