(1S-TRANS)-5-HYDROXY-A,A,4-TRIMETHYLCYCLOHEX-3-ENE-1-METHANOL

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

Structure

InChI Key OMDMTHRBGUBUCO-DTWKUNHWSA-N
Smiles CC1=CC[C@@H](C[C@H]1O)C(C)(C)O
InChI
InChI=1/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 1.47
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 38235-58-4
NORMAN SUSDAT
CONTENTS