0VT

?

Summary

Name:6-methylhept-5-en-2-one
Synonyms:6-methyl-5-hepten-2-one
Formula:C8 H14 O
Formal charge:0
Molecular weight:126.196 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-methylhept-5-en-2-one
OpenEye OEToolkits1.7.66-methylhept-5-en-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C)CC\C=C(/C)C
InChIInChI1.03InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKeyInChI1.03UHEPJGULSIKKTP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(C)=CCCC(C)=O
SMILESCACTVS3.370CC(C)=CCCC(C)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=CCCC(=O)C)C
SMILESOpenEye OEToolkits1.7.6CC(=CCCC(=O)C)C
167518
PDB entries from 2020-08-12