Summary
IMPPAT Phytochemical identifier: IMPHY017757
Phytochemical name: Isobutyl vinyl ether
Synonymous chemical names:propane,1-(ethenyloxy)-2-methyl
External chemical identifiers:CID:7992, ChEMBL:CHEMBL3183612, ZINC:ZINC000001586530, FDASRS:8HQ2X2D0TM, SureChEMBL:SCHEMBL16776, MolPort-001-789-804
Chemical structure information
SMILES:
C=COCC(C)CInChI:
InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3InChIKey:
OZCMOJQQLBXBKI-UHFFFAOYSA-NDeepSMILES:
C=COCCC)CFunctional groups:
C=COC
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
NP-Likeness score: 0.523
Chemical structure download
