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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H10O2.C3H6O3
Molecular Weight 192.2096
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DIOXEPANE, POLYMER WITH 1,3,5-TRIOXANE

SMILES

C1OCOCO1.C2CCOCOC2

InChI

InChIKey=AYLMAELYADLOEC-UHFFFAOYSA-N
InChI=1S/C5H10O2.C3H6O3/c1-2-4-7-5-6-3-1;1-4-2-6-3-5-1/h1-5H2;1-3H2

HIDE SMILES / InChI

Molecular Formula C3H6O3
Molecular Weight 90.0779
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H10O2
Molecular Weight 102.1317
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:57:15 GMT 2023
Edited
by admin
on Fri Dec 15 17:57:15 GMT 2023
Record UNII
YR9HU7PBN3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-DIOXEPANE, POLYMER WITH 1,3,5-TRIOXANE
Common Name English
Code System Code Type Description
FDA UNII
YR9HU7PBN3
Created by admin on Fri Dec 15 17:57:15 GMT 2023 , Edited by admin on Fri Dec 15 17:57:15 GMT 2023
PRIMARY
PUBCHEM
168334
Created by admin on Fri Dec 15 17:57:15 GMT 2023 , Edited by admin on Fri Dec 15 17:57:15 GMT 2023
PRIMARY
CAS
25214-85-1
Created by admin on Fri Dec 15 17:57:15 GMT 2023 , Edited by admin on Fri Dec 15 17:57:15 GMT 2023
PRIMARY