(Z)-1-(2,2-DIETHOXYETHOXY)HEX-3-ENE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00885935

Structure

InChI Key SXFMZKKBIUYSHF-FPLPWBNLSA-N
Smiles O(CCC=CCC)CC(OCC)OCC
InChI
InChI=1/C12H24O3/c1-4-7-8-9-10-13-11-12(14-5-2)15-6-3/h7-8,12H,4-6,9-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O3
Molecular Weight 216.17
AlogP 2.76
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 27.69
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 50876-88-5
NORMAN SUSDAT
PubChem 6441665
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