You are looking to 2-Heptanone
General Information
Pubchem ID: 8051
IUPAC Name: Heptan-2-one
Synonym/s: Methyl pentyl ketone, Butylacetone
Molecular Formula: C7H14O
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 114.1900
Number of Atoms: 22
Rotatable Bonds: 4
Molecular Refractivity (m³ • mol-1 ): 34.620
Physico-chemical Properties
Volume (cm³ • mol-1 ): 566.14
Solvent Accessible Surface Area (Ų): 369.60
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: None
AlogP: 1.79
Polar Surface Area (Å): 29.04
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Ketone