tert-butyl({[(2E)-3-iodobut-2-en-1-yl]oxy})dimethylsilane

• ChemBase ID: 163357
• Molecular Formular: C10H21IOSi
• Molecular Mass: 312.26311
• Monoisotopic Mass: 312.04063982
• SMILES: C(=C(\I)/C)/CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: C/C(=C\CO[Si](C(C)(C)C)(C)C)/I
• InChI: InChI=1S/C10H21IOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7H,8H2,1-6H3/b9-7+
• InChIKey: RJQSJKGWNGCEOG-VQHVLOKHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl({[(2E)-3-iodobut-2-en-1-yl]oxy})dimethylsilane
• IUPAC Traditional name: tert-butyl({[(2E)-3-iodobut-2-en-1-yl]oxy})dimethylsilane
• Synonyms: (1,1-Dimethylethyl)[[(2E)-3-iodo-2-butenyl]oxy]dimethyl-silane; O-tert-Butyldimethylsilyl-3-iodo-(2E)-buten-1-ol

Database IDs

• CAS Number: 152893-54-4
• PubChem SID: 162257492
• PubChem CID: 11001446

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4231
• LogD (pH = 7.4): 3.4231
• Log P: 3.4231
• Molar Refractivity: 66.4505 cm^3
• Polarizability: 27.47306 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Pink Oil

DETAILS

Toronto Research Chemicals - B691350

Reagent used in the synthesis of Retinoids.