Basic information
- CAS
664343-08-2- Standard SMILES
C#C/C(C)=C\CCC(C)=O- InChIKey
PGOOKHVUKLOAPU-VURMDHGXSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
Names & identifiers
- Preferred name
- (Z)-6-methyloct-5-en-7-yn-2-one
- IUPAC
- (Z)-6-methyloct-5-en-7-yn-2-one
- English name
- 5-Octen-7-yn-2-one, 6-methyl-, (5Z)- (9CI)
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
5-Octen-7-yn-2-one, 6-methyl-, (5Z)-5-Octen-7-yn-2-one, 6-methyl-, (5Z)- (9CI)
Database identifiers
- CAS
664343-08-2- Nikkaji
- J1.987.487G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 221.7 · 221.7±23.0 °C(Predicted)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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