sodium tri-tert-butylsilanolate

• ChemBase ID: 129554
• Molecular Formular: C12H27NaOSi
• Molecular Mass: 238.41745
• Monoisotopic Mass: 238.1728863
• SMILES: [Na+].CC(C)(C)[Si]([O-])(C(C)(C)C)C(C)(C)C
• Canonical SMILES: CC([Si](C(C)(C)C)(C(C)(C)C)[O-])(C)C.[Na+]
• InChI: InChI=1S/C12H27OSi.Na/c1-10(2,3)14(13,11(4,5)6)12(7,8)9;/h1-9H3;/q-1;+1
• InChIKey: QAGFKHQOLBYGIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tri-tert-butylsilanolate
• IUPAC Systematic name: Sodium tri-tert-butylsilanolate
• IUPAC Traditional name: sodium tri-tert-butylsilanolate
• Synonyms: Sodium silox

Database IDs

• CAS Number: 461703-02-6
• PubChem SID: 162223845
• PubChem CID: 23701721
• Wikipedia Title: Sodium_silox

CALCULATED PROPERTIES

• Acid pKa: 11.733957
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0266998
• LogD (pH = 7.4): 3.02668
• Log P: 3.0267
• Molar Refractivity: 59.9498 cm^3
• Polarizability: 26.101324 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: colourless solid