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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H30O3
Molecular Weight 258.3969
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRIISOBUTYL-1,3,5-TRIOXANE

SMILES

CC(C)C[C@H]1O[C@@H](CC(C)C)O[C@@H](CC(C)C)O1

InChI

InChIKey=SBVHSWJZXOYLFE-QDMKHBRRSA-N
InChI=1S/C15H30O3/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-15H,7-9H2,1-6H3/t13-,14+,15-

HIDE SMILES / InChI

Molecular Formula C15H30O3
Molecular Weight 258.3969
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:43:08 GMT 2023
Edited
by admin
on Sat Dec 16 16:43:08 GMT 2023
Record UNII
4KW7X7XVE1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-TRIISOBUTYL-1,3,5-TRIOXANE
Systematic Name English
1,3,5-TRIISOBUTYL-2,4,6-TRIOXANE
Systematic Name English
1,3,5-TRIOXANE, 2,4,6-TRIS(2-METHYLPROPYL)-
Systematic Name English
1,3,5-TRIOXANE, 2,4,6-TRIS(2-METHYLPROPYL)-, (2.ALPHA.,4.ALPHA.,6.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
68165-40-2
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID00218345
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-012-3
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY
CAS
1372765-83-7
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
ALTERNATIVE
FDA UNII
4KW7X7XVE1
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY
PUBCHEM
198512
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY