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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE, (2S,4R)-

SMILES

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

InChI

InChIKey=PDVLTWPJDBXATJ-SFYZADRCSA-N
InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
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 Fri Dec 15 20:19:20 GMT 2023
Edited
by admin
on Fri Dec 15 20:19:20 GMT 2023
Record UNII
BW23UTP46Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE, (2S,4R)-
Systematic Name English
4-METHYL-2-(2-METHYLPROPYL)-1,3-DIOXOLANE, (2S,4R)-
Systematic Name English
4-METHYL-2-ISOBUTYL-1,3-DIOXOLANE, (2S,4R)-
Systematic Name English
1,3-DIOXOLANE, 4-METHYL-2-(2-METHYLPROPYL)-, (2S,4R)-
Systematic Name English
1,3-DIOXOLANE, 4-METHYL-2-(2-METHYLPROPYL)-, (2S-CIS)-
Systematic Name English
Code System Code Type Description
FDA UNII
BW23UTP46Y
Created by admin on Fri Dec 15 20:19:20 GMT 2023 , Edited by admin on Fri Dec 15 20:19:20 GMT 2023
PRIMARY
PUBCHEM
71587453
Created by admin on Fri Dec 15 20:19:20 GMT 2023 , Edited by admin on Fri Dec 15 20:19:20 GMT 2023
PRIMARY
CAS
122045-46-9
Created by admin on Fri Dec 15 20:19:20 GMT 2023 , Edited by admin on Fri Dec 15 20:19:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID00153489
Created by admin on Fri Dec 15 20:19:20 GMT 2023 , Edited by admin on Fri Dec 15 20:19:20 GMT 2023
PRIMARY