tert-butyl(4-iodobutoxy)dimethylsilane

• ChemBase ID: 147312
• Molecular Formular: C10H23IOSi
• Molecular Mass: 314.27899
• Monoisotopic Mass: 314.05628989
• SMILES: CC(C)(C)[Si](C)(C)OCCCCI
• Canonical SMILES: ICCCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H23IOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h6-9H2,1-5H3
• InChIKey: INGJYKISFRSCQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(4-iodobutoxy)dimethylsilane
• IUPAC Traditional name: tert-butyl(4-iodobutoxy)dimethylsilane
• Synonyms: tert-Butyl(4-iodobutoxy)dimethylsilane; 叔丁基(4-碘丁氧基)二甲基硅烷

Database IDs

• CAS Number: 92511-12-1
• MDL Number: MFCD01863695
• PubChem SID: 162241502; 24873600
• PubChem CID: 4250746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1943
• LogD (pH = 7.4): 4.1943
• Log P: 4.1943
• Molar Refractivity: 65.1949 cm^3
• Polarizability: 27.698174 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75 °C/0.5 mmHg(lit.)
• Density: 1.214 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.48(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 95%
• Contains: copper as stabilizer
• Linear Formula: (CH3)3CSi(CH3)2O(CH2)4I

DETAILS

Sigma Aldrich - 512028

Packaging
5, 25 mL in glass bottle