silver(1+) ion 4-cyclohexylbutanoate

• ChemBase ID: 295843
• Molecular Formular: C10H17AgO2
• Molecular Mass: 277.10898
• Monoisotopic Mass: 276.02795178
• SMILES: C1CCC(CC1)CCCC(=O)[O-].[Ag+]
• Canonical SMILES: [O-]C(=O)CCCC1CCCCC1.[Ag+]
• InChI: InChI=1S/C10H18O2.Ag/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1
• InChIKey: CBBVZDBEHVFMHE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: silver(1+) ion 4-cyclohexylbutanoate
• IUPAC Traditional name: silver(1+) ion 4-cyclohexylbutanoate
• Synonyms: Cyclohexanebutyric acid silver salt; 4-Cyclohexylbutyric acid silver salt; Silver cyclohexanebutyrate; 环己烷丁酸银; 环己基丁酸银盐

Database IDs

• CAS Number: 62638-04-4
• EC Number: 263-667-9
• MDL Number: MFCD00036396
• PubChem SID: 180681374
• PubChem CID: 112901

CALCULATED PROPERTIES

• Acid pKa: 5.0541363
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3894231
• LogD (pH = 7.4): 0.6476406
• Log P: 2.9678953
• Molar Refractivity: 58.4601 cm^3
• Polarizability: 18.819902 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: ca 255°C dec.

Safety Information

• Storage Warning: Light Sensitive
• TSCA Listed: 是

Product Information

• Purity: 99% (dry wt.)