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You are looking to Butyl Formate



General Information

Pubchem ID: 11614

IUPAC Name: butyl formate

Synonym/s: Butyl methanoate, ---

Molecular Formula: C5H10O2

SMILES:


Known Interaction/s




Structural Values

Molecular Weight (Da): 102.1300

Number of Atoms: 17

Rotatable Bonds: 4

Molecular Refractivity (m³ • mol-1 ): 27.210



Physico-chemical Properties

Volume (cm³ • mol-1 ): 494.35

Solvent Accessible Surface Area (Ų): 340.82

Hydrogen Bond Donor: 0

Hydrogen Bond Acceptor: 2

Total Charge: 0

pKa: None

AlogP: 1.27

Polar Surface Area (Å): 48.76



Pharmacological Analysis

Rule of Five or Lipinsky Rule: Satisfied

Rule of Three: Unsatisfied

Ghose Filter: Unsatisfied



Functional Group/s

Carbonyl

Aldehyde

Ester