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

Details

Stereochemistry RACEMIC
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ISOPROPYL-5,5-DIMETHYL-1,3-DIOXANE

SMILES

CC(C)C1OCOCC1(C)C

InChI

InChIKey=KBYHWUXTLMRZHL-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-7(2)8-9(3,4)5-10-6-11-8/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
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 Sat Dec 16 08:26:00 GMT 2023
Edited
by admin
on Sat Dec 16 08:26:00 GMT 2023
Record UNII
TI8LRS7LDS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-ISOPROPYL-5,5-DIMETHYL-1,3-DIOXANE
Systematic Name English
1,3-DIOXANE, 5,5-DIMETHYL-4-(1-METHYLETHYL)-
Systematic Name English
M-DIOXANE, 4-ISOPROPYL-5,5-DIMETHYL-
Systematic Name English
5,5-DIMETHYL-4-(1-METHYLETHYL)-1,3-DIOXANE
Systematic Name English
NSC-48577
Code English
Code System Code Type Description
EPA CompTox
DTXSID6052035
Created by admin on Sat Dec 16 08:26:00 GMT 2023 , Edited by admin on Sat Dec 16 08:26:00 GMT 2023
PRIMARY
CAS
3583-00-4
Created by admin on Sat Dec 16 08:26:00 GMT 2023 , Edited by admin on Sat Dec 16 08:26:00 GMT 2023
PRIMARY
NSC
48577
Created by admin on Sat Dec 16 08:26:00 GMT 2023 , Edited by admin on Sat Dec 16 08:26:00 GMT 2023
PRIMARY
PUBCHEM
96021
Created by admin on Sat Dec 16 08:26:00 GMT 2023 , Edited by admin on Sat Dec 16 08:26:00 GMT 2023
PRIMARY
FDA UNII
TI8LRS7LDS
Created by admin on Sat Dec 16 08:26:00 GMT 2023 , Edited by admin on Sat Dec 16 08:26:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-709-6
Created by admin on Sat Dec 16 08:26:00 GMT 2023 , Edited by admin on Sat Dec 16 08:26:00 GMT 2023
PRIMARY