2-DODEC-11-ENYLOXIRANE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90988949

Structure

InChI Key GPOAUVOYIHAVKA-UHFFFAOYSA-N
Smiles O1CC1CCCCCCCCCCC=C
InChI
InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h2,14H,1,3-13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26O
Molecular Weight 210.2
AlogP 4.47
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 12.53
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 69227-94-7
NORMAN SUSDAT
PubChem 5743593
CONTENTS