Basic information
- Standard SMILES
CCOC1CCCC(C=Cc2c(C)noc2C)O1- InChIKey
AVFCPIMHHSCCAN-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- Racemic 3,5-dimethyl-4-(6-ethoxytetrahydropyran-2-ylvinyl)isoxazole
- IUPAC
- 4-[2-(6-ethoxyoxan-2-yl)ethenyl]-3,5-dimethyl-1,2-oxazole
Names & synonyms
SCHEMBL11632494AVFCPIMHHSCCAN-UHFFFAOYSA-Nracemic 3,5-dimethyl-4-(6-ethoxytetrahydropyran-2-ylvinyl)isoxazoleracemic 3,5-dimethyl-4-(6-ethoxytetrahydropyran-2- ylvinyl)-isoxazoleracemic 3,5-dimethyl-4-(6-ethoxytetrahydropyran-2-ylvinyl) isoxazole
Database identifiers
- PubChem CID
- 70623959
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
5 records
Compound notes
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