U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O4
Molecular Weight 240.2955
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diethyl diallylmalonate

SMILES

CCOC(=O)C(CC=C)(CC=C)C(=O)OCC

InChI

InChIKey=LYUUVYQGUMRKOV-UHFFFAOYSA-N
InChI=1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3

HIDE SMILES / InChI

Molecular Formula C13H20O4
Molecular Weight 240.2955
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
W2RBW7YAY9
Record Status Validated (UNII)
Record Version