Basic information
- Standard SMILES
CC(C)C(=O)C#CCOC1CCCCO1- InChIKey
GQRYPWDLSQZQHK-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-1-((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one
- IUPAC
- 2-methyl-6-(oxan-2-yloxy)hex-4-yn-3-one
Names & synonyms
SCHEMBL7188169GQRYPWDLSQZQHK-UHFFFAOYSA-N5-Methyl- 1-((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1 -((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1-((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1-((3.4.5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1-((3.4.5.6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one
Database identifiers
- PubChem CID
- 23249596
- Nikkaji
- J2.242.793H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Related reactions
22 records
Compound notes
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