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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O3
Molecular Weight 144.1684
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4-dimethyl-3,5,8-Trioxabicyclo[5.1.0]octane, cis-

SMILES

[H][C@@]12COC(C)(C)OC[C@]1([H])O2

InChI

InChIKey=GEKNCWQQNMEIMS-OLQVQODUSA-N
InChI=1S/C7H12O3/c1-7(2)8-3-5-6(10-5)4-9-7/h5-6H,3-4H2,1-2H3/t5-,6+

HIDE SMILES / InChI

Molecular Formula C7H12O3
Molecular Weight 144.1684
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:12:26 GMT 2023
Edited
by admin
on Sat Dec 16 19:12:26 GMT 2023
Record UNII
UH2578TWH3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4-dimethyl-3,5,8-Trioxabicyclo[5.1.0]octane, cis-
Systematic Name English
3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-, cis-
Systematic Name English
4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
Systematic Name English
3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-, (1R,7S)-rel-
Systematic Name English
3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-
Systematic Name English
Code System Code Type Description
FDA UNII
UH2578TWH3
Created by admin on Sat Dec 16 19:12:26 GMT 2023 , Edited by admin on Sat Dec 16 19:12:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID10972789
Created by admin on Sat Dec 16 19:12:26 GMT 2023 , Edited by admin on Sat Dec 16 19:12:26 GMT 2023
PRIMARY
CAS
57280-22-5
Created by admin on Sat Dec 16 19:12:26 GMT 2023 , Edited by admin on Sat Dec 16 19:12:26 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
11029957
Created by admin on Sat Dec 16 19:12:26 GMT 2023 , Edited by admin on Sat Dec 16 19:12:26 GMT 2023
PRIMARY
CAS
100572-41-6
Created by admin on Sat Dec 16 19:12:26 GMT 2023 , Edited by admin on Sat Dec 16 19:12:26 GMT 2023
PRIMARY