methyl 1-{[tris(propan-2-yl)silyl]oxy}cyclopropane-1-carboxylate

• ChemBase ID: 179163
• Molecular Formular: C14H28O3Si
• Molecular Mass: 272.45582
• Monoisotopic Mass: 272.18077129
• SMILES: C1(CC1)(C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: COC(=O)C1(CC1)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)17-14(8-9-14)13(15)16-7/h10-12H,8-9H2,1-7H3
• InChIKey: GKGFNEIHUOXMRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-{[tris(propan-2-yl)silyl]oxy}cyclopropane-1-carboxylate
• IUPAC Traditional name: methyl 1-[(triisopropylsilyl)oxy]cyclopropane-1-carboxylate
• Synonyms: 1-[[Tris(1-methylethyl)silyl]oxy]cyclopropanecarboxylic Acid Methyl Ester; 1-(Triisopropylsilyloxy)cyclopropylcarboxylic Acid Methyl Ester

Database IDs

• CAS Number: 205756-59-8
• PubChem SID: 164235073
• PubChem CID: 15480705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5798
• LogD (pH = 7.4): 3.5798
• Log P: 3.5798
• Molar Refractivity: 69.8273 cm^3
• Polarizability: 30.179476 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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