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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-5-PROPYL-1,3-DIOXAN-2-ONE

SMILES

CCCC1(C)COC(=O)OC1

InChI

InChIKey=QPAWSFWKAUAJKW-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-3-4-8(2)5-10-7(9)11-6-8/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Thu Jul 06 12:37:31 UTC 2023
Edited
by admin
on Thu Jul 06 12:37:31 UTC 2023
Record UNII
FXX4CCT5JI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-5-PROPYL-1,3-DIOXAN-2-ONE
Systematic Name English
CARISOPRODOL IMPURITY B [EP IMPURITY]
Common Name English
NSC-65885
Code English
Code System Code Type Description
EPA CompTox
DTXSID7064574
Created by admin on Thu Jul 06 12:37:31 UTC 2023 , Edited by admin on Thu Jul 06 12:37:31 UTC 2023
PRIMARY
FDA UNII
FXX4CCT5JI
Created by admin on Thu Jul 06 12:37:31 UTC 2023 , Edited by admin on Thu Jul 06 12:37:31 UTC 2023
PRIMARY
NSC
65885
Created by admin on Thu Jul 06 12:37:31 UTC 2023 , Edited by admin on Thu Jul 06 12:37:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
230-465-7
Created by admin on Thu Jul 06 12:37:31 UTC 2023 , Edited by admin on Thu Jul 06 12:37:31 UTC 2023
PRIMARY
PUBCHEM
81571
Created by admin on Thu Jul 06 12:37:31 UTC 2023 , Edited by admin on Thu Jul 06 12:37:31 UTC 2023
PRIMARY
CAS
7148-50-7
Created by admin on Thu Jul 06 12:37:31 UTC 2023 , Edited by admin on Thu Jul 06 12:37:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
EP