11-chloroundecanoic acid

• ChemBase ID: 121816
• Molecular Formular: C11H21ClO2
• Molecular Mass: 220.73624
• Monoisotopic Mass: 220.12300759
• SMILES: C(=O)(O)CCCCCCCCCCCl
• Canonical SMILES: ClCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C11H21ClO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
• InChIKey: GVZXFVFTBUYBJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-chloroundecanoic acid
• IUPAC Traditional name: 11-chloroundecanoic acid
• Synonyms: 11-chloroundecanoic acid

Database IDs

• PubChem SID: 162216169
• PubChem CID: 200380

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2958472
• LogD (pH = 7.4): 1.5367122
• Log P: 3.9516528
• Molar Refractivity: 59.0583 cm^3
• Polarizability: 23.33522 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true