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

Details

Stereochemistry RACEMIC
Molecular Formula C9H20O2
Molecular Weight 160.2539
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,4-TRIMETHYL-1,6-HEXANEDIOL

SMILES

CC(CCO)CC(C)(C)CO

InChI

InChIKey=GZZLQUBMUXEOBE-UHFFFAOYSA-N
InChI=1S/C9H20O2/c1-8(4-5-10)6-9(2,3)7-11/h8,10-11H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H20O2
Molecular Weight 160.2539
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:21:56 GMT 2025
Edited
by admin
on Mon Mar 31 22:21:56 GMT 2025
Record UNII
GSB2ZC04OO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,6-HEXANEDIOL, 2,2,4-TRIMETHYL-
Preferred Name English
2,2,4-TRIMETHYL-1,6-HEXANEDIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
102935
Created by admin on Mon Mar 31 22:21:56 GMT 2025 , Edited by admin on Mon Mar 31 22:21:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-429-1
Created by admin on Mon Mar 31 22:21:56 GMT 2025 , Edited by admin on Mon Mar 31 22:21:56 GMT 2025
PRIMARY
FDA UNII
GSB2ZC04OO
Created by admin on Mon Mar 31 22:21:56 GMT 2025 , Edited by admin on Mon Mar 31 22:21:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID50883946
Created by admin on Mon Mar 31 22:21:56 GMT 2025 , Edited by admin on Mon Mar 31 22:21:56 GMT 2025
PRIMARY
CAS
3089-24-5
Created by admin on Mon Mar 31 22:21:56 GMT 2025 , Edited by admin on Mon Mar 31 22:21:56 GMT 2025
PRIMARY