1,3-CYCLOHEXADIENE-1-PROPANOL, α,2,6,6-TETRAMETHYL-

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

Structure

InChI Key WPGXAVCJKGSOBD-UHFFFAOYSA-N
Smiles CC1=C(C(CC=C1)(C)C)CCC(C)O
InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H22O1
Molecular Weight 194.17
AlogP 3.45
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 57069-86-0
NORMAN SUSDAT
PubChem 62126
ChemSpider 55960.0
CONTENTS