2-(2,6-DIMETHYLHEPT-5-ENYL)-4-METHYL-1,3-DIOXOLANE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key LSKGUOZAKOLOMT-UHFFFAOYSA-N
Smiles O1CC(OC1CC(C)CCC=C(C)C)C
InChI
InChI=1/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,11-13H,5,7-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24O2
Molecular Weight 212.18
AlogP 3.52
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 74094-64-7
NORMAN SUSDAT
PubChem 2839799
CONTENTS