(2E,6Z)-DODECA-2,6-DIENOL

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

Structure

InChI Key UFPCISMLRCAWMQ-JFEAUALZSA-N
Smiles OCC=CCCC=CCCCCC
InChI
InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O
Molecular Weight 182.17
AlogP 3.45
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 20.23
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 94133-54-7
NORMAN SUSDAT
PubChem 20836325
CONTENTS