dec-2-enoic acid

• ChemBase ID: 107190
• Molecular Formular: C10H18O2
• Molecular Mass: 170.24872
• Monoisotopic Mass: 170.13067982
• SMILES: CCCCCCC/C=C/C(=O)O
• Canonical SMILES: CCCCCCC/C=C/C(=O)O
• InChI: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
• InChIKey: WXBXVVIUZANZAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-2-enoic acid
• IUPAC Traditional name: 2-decenoic acid
• Synonyms: 2-DECENOIC ACID

Database IDs

• CAS Number: 3913-85-7
• EC Number: 223-475-8
• PubChem SID: 162093477
• PubChem CID: 5282724

CALCULATED PROPERTIES

• Acid pKa: 5.0255046
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9872847
• LogD (pH = 7.4): 1.2400482
• Log P: 3.5869942
• Molar Refractivity: 50.5709 cm^3
• Polarizability: 19.414877 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true