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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DIMETHYL-2,6-OCTADIENE-1,8-DIOL, (E,Z)-

SMILES

C\C(CO)=C\CC\C(C)=C\CO

InChI

InChIKey=PREUOUJFXMCMSJ-KWNZIKDBSA-N
InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5-

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:33 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:33 UTC 2023
Record UNII
J8TV86BU42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DIMETHYL-2,6-OCTADIENE-1,8-DIOL, (E,Z)-
Common Name English
(E,Z)-2,6-DIMETHYL-2,6-OCTADIENE-1,8-DIOL
Systematic Name English
2,6-OCTADIENE-1,8-DIOL, 2,6-DIMETHYL-, (Z,E)-
Systematic Name English
2,6-OCTADIENE-1,8-DIOL, 2,6-DIMETHYL-, (2Z,6E)-
Systematic Name English
Code System Code Type Description
CAS
32663-40-4
Created by admin on Sat Dec 16 11:00:33 UTC 2023 , Edited by admin on Sat Dec 16 11:00:33 UTC 2023
PRIMARY
PUBCHEM
13619433
Created by admin on Sat Dec 16 11:00:33 UTC 2023 , Edited by admin on Sat Dec 16 11:00:33 UTC 2023
PRIMARY
FDA UNII
J8TV86BU42
Created by admin on Sat Dec 16 11:00:33 UTC 2023 , Edited by admin on Sat Dec 16 11:00:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
1,1-Diphenyl-2-picrylhydrazyl radical scavenging assay(DPPH) IC50 expressed as ug/mL >40. In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL >5.