[1S-(1A,3A,4A,6A)]-3-HYDROXY-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-4-YL ACETATE

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

Structure

InChI Key ULLVLQDHBOHWGJ-UHFFFAOYSA-N
Smiles CC(=O)OC1CC2C(CC1(C)O)C2(C)C
InChI
InChI=1/C12H20O3/c1-7(13)15-10-5-8-9(11(8,2)3)6-12(10,4)14/h8-10,14H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20O3
Molecular Weight 212.14
AlogP 1.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 46.53
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 10309-63-4
NORMAN SUSDAT
CONTENTS