You are looking to 3-Heptanone
General Information
Pubchem ID: 7802
IUPAC Name: Heptan-3-one
Synonym/s: Butyl ethyl ketone, ---
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 ): 34.650
Physico-chemical Properties
Volume (cm³ • mol-1 ): 564.21
Solvent Accessible Surface Area (Ų): 367.16
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: None
AlogP: 2.00
Polar Surface Area (Å): 27.17
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Ketone