Showing RIpred-Card for 2-Methoxyestrone,2TBDMS,isomer#1 (RI00000099)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00000099
Compound Identification
Common Name2-Methoxyestrone,2TBDMS,isomer#1
Structure
Average Molecular Weight528.3455
SMILESCOC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)CC[C@@H]1[C@@H]2CC[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]12
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3197.3948
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices