U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-HEPTENAL DIETHYL ACETAL, (4E)-

SMILES

CCOC(CC\C=C\CC)OCC

InChI

InChIKey=BOALWZNGHWYCRG-BQYQJAHWSA-N
InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+

HIDE SMILES / InChI

Approval Year

Name Type Language
4-HEPTENAL DIETHYL ACETAL, (4E)-
Systematic Name English
FEMA NO. 3349, E-
Preferred Name English
3-HEPTENE, 7,7-DIETHOXY-, (E)-
Systematic Name English
4-HEPTENAL DIETHYL ACETAL, TRANS-
Systematic Name English
4-HEPTENAL, DIETHYL ACETAL, (E)-
Common Name English
3-HEPTENE, 7,7-DIETHOXY-, (3E)-
Systematic Name English
Code System Code Type Description
CAS
18492-66-5
Created by admin on Mon Mar 31 19:45:23 GMT 2025 , Edited by admin on Mon Mar 31 19:45:23 GMT 2025
PRIMARY
PUBCHEM
5463725
Created by admin on Mon Mar 31 19:45:23 GMT 2025 , Edited by admin on Mon Mar 31 19:45:23 GMT 2025
PRIMARY
FDA UNII
4LV788W95H
Created by admin on Mon Mar 31 19:45:23 GMT 2025 , Edited by admin on Mon Mar 31 19:45:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID60885052
Created by admin on Mon Mar 31 19:45:23 GMT 2025 , Edited by admin on Mon Mar 31 19:45:23 GMT 2025
PRIMARY