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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O
Molecular Weight 126.1962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-3-PROPYLACROLEIN, (Z)-

SMILES

CCC\C=C(\CC)C=O

InChI

InChIKey=PYLMCYQHBRSDND-VURMDHGXSA-N
InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6-

HIDE SMILES / InChI

Molecular Formula C8H14O
Molecular Weight 126.1962
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:42:37 GMT 2023
Edited
by admin
on Sat Dec 16 05:42:37 GMT 2023
Record UNII
0Y7M27M05R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYL-3-PROPYLACROLEIN, (Z)-
Systematic Name English
2-HEXENAL, 2-ETHYL-, (2Z)-
Systematic Name English
CIS-2-ETHYL-2-HEXENAL
Systematic Name English
Code System Code Type Description
FDA UNII
0Y7M27M05R
Created by admin on Sat Dec 16 05:42:37 GMT 2023 , Edited by admin on Sat Dec 16 05:42:37 GMT 2023
PRIMARY
PUBCHEM
10997035
Created by admin on Sat Dec 16 05:42:37 GMT 2023 , Edited by admin on Sat Dec 16 05:42:37 GMT 2023
PRIMARY
CAS
88288-45-3
Created by admin on Sat Dec 16 05:42:37 GMT 2023 , Edited by admin on Sat Dec 16 05:42:37 GMT 2023
PRIMARY