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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H26O3
Molecular Weight 290.3972
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (Z)-5-(3,6-DIMETHYL-2-(PROP-1-EN-1-YL)PHENOXY)-2,2-DIMETHYLPENTANOIC ACID

SMILES

C\C=C/C1=C(OCCCC(C)(C)C(O)=O)C(C)=CC=C1C

InChI

InChIKey=JVBPONSUILUXDV-VURMDHGXSA-N
InChI=1S/C18H26O3/c1-6-8-15-13(2)9-10-14(3)16(15)21-12-7-11-18(4,5)17(19)20/h6,8-10H,7,11-12H2,1-5H3,(H,19,20)/b8-6-

HIDE SMILES / InChI

Molecular Formula C18H26O3
Molecular Weight 290.3972
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 Wed Apr 02 12:47:05 GMT 2025
Edited
by admin
on Wed Apr 02 12:47:05 GMT 2025
Record UNII
HZX4DN9FFK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(Z)-5-(3,6-DIMETHYL-2-(PROP-1-EN-1-YL)PHENOXY)-2,2-DIMETHYLPENTANOIC ACID
Preferred Name English
Code System Code Type Description
FDA UNII
HZX4DN9FFK
Created by admin on Wed Apr 02 12:47:05 GMT 2025 , Edited by admin on Wed Apr 02 12:47:05 GMT 2025
PRIMARY