(E)-TETRADEC-12-EN-9-YNOL

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60885870

Structure

InChI Key BSIFYCYOKFFUMK-NSCUHMNNSA-N
Smiles OCCCCCCCCC#CCC=CC
InChI
InChI=1/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,15H,4,7-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O
Molecular Weight 208.18
AlogP 3.68
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 20.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 42521-44-8
NORMAN SUSDAT
PubChem 6441645
CONTENTS