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You are looking to 4-Tert-Butylcyclohexanone



General Information

Pubchem ID: 7392

IUPAC Name: 4-tert-butylcyclohexan-1-one

Synonym/s: 4-t-Butylcyclohexanone, ---

Molecular Formula: C10H18O2

SMILES:


Known Interaction/s




Structural Values

Molecular Weight (Da): 154.2500

Number of Atoms: 29

Rotatable Bonds: 1

Molecular Refractivity (m³ • mol-1 ): 46.420



Physico-chemical Properties

Volume (cm³ • mol-1 ): 642.58

Solvent Accessible Surface Area (Ų): 388.90

Hydrogen Bond Donor: 0

Hydrogen Bond Acceptor: 1

Total Charge: 0

pKa: None

AlogP: 2.34

Polar Surface Area (Å): 29.51



Pharmacological Analysis

Rule of Five or Lipinsky Rule: Satisfied

Rule of Three: Satisfied

Ghose Filter: Unsatisfied



Functional Group/s

Carbonyl

Ketone