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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O
Molecular Weight 188.2655
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-2-PHENYL-HEX-2-ENAL, (2Z)-

SMILES

CC(C)C\C=C(/C=O)C1=CC=CC=C1

InChI

InChIKey=YURDCJXYOLERLO-UKTHLTGXSA-N
InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9+

HIDE SMILES / InChI

Molecular Formula C13H16O
Molecular Weight 188.2655
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:02:48 GMT 2023
Edited
by admin
on Fri Dec 15 20:02:48 GMT 2023
Record UNII
3ET4T99VQA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-2-PHENYL-HEX-2-ENAL, (2Z)-
Systematic Name English
(Z)-5-METHYL-2-PHENYL-HEX-2-ENAL
Systematic Name English
FEMA NO. 3199, Z-
Code English
Code System Code Type Description
FDA UNII
3ET4T99VQA
Created by admin on Fri Dec 15 20:02:48 GMT 2023 , Edited by admin on Fri Dec 15 20:02:48 GMT 2023
PRIMARY
PUBCHEM
5463934
Created by admin on Fri Dec 15 20:02:48 GMT 2023 , Edited by admin on Fri Dec 15 20:02:48 GMT 2023
PRIMARY