Basic information
- CAS
23566-47-4- Standard SMILES
CC(C)CC(=O)C#Cc1ccccc1- InChIKey
YSNUZHGXXPVDOQ-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- Isovalerylphenylacetylene
- IUPAC
- 5-methyl-1-phenylhex-1-yn-3-one
Names & synonyms
Isovalerylphenylacetylene23566-47-4DTXSID40334235RefChem:350192DTXCID502853255-methyl-1-phenylhex-1-yn-3-one
Database identifiers
- CAS
23566-47-4- PubChem CID
- 520060
- DTXSID
DTXSID40334235- Nikkaji
- J3.269.577I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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