2,2-DIMETHYL-4,7-DIHYDRO-1,3-DIOXEPINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VBZ3ZAK4EJ
EPA CompTox DTXSID50905334

Structure

InChI Key ATZGUXPLGMKHOR-UHFFFAOYSA-N
Smiles CC1(C)OCC=CCO1
InChI
InChI=1S/C7H12O2/c1-7(2)8-5-3-4-6-9-7/h3-4H,5-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12O2
Molecular Weight 128.08
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1003-83-4
NORMAN SUSDAT
FDA SRS VBZ3ZAK4EJ
PubChem 392707
ChemSpider 348040.0
CONTENTS