Racemic 3,5-dimethyl-4-(6-ethoxytetrahydropyran-2-ylvinyl)isoxazole

HCID 70623959

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

Related reactions

5 records

Compound notes

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