(E)-TETRADEC-3-ENOL

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80887553

Structure

InChI Key DQELOVNSWGCVQZ-VAWYXSNFSA-N
Smiles OCCC=CCCCCCCCCCC
InChI
InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12,15H,2-10,13-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28O
Molecular Weight 212.21
AlogP 4.46
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 20.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68900-86-7
NORMAN SUSDAT
PubChem 6427129
CONTENTS