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

• ChemBase ID: 169433
• Molecular Formular: C13H26O2Si
• Molecular Mass: 242.42984
• Monoisotopic Mass: 242.1702066
• SMILES: C1(CC1)(O[Si](C(C)C)(C(C)C)C(C)C)C=O
• Canonical SMILES: O=CC1(CC1)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C13H26O2Si/c1-10(2)16(11(3)4,12(5)6)15-13(9-14)7-8-13/h9-12H,7-8H2,1-6H3
• InChIKey: KXIGCGAYUCTEDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[tris(propan-2-yl)silyl]oxy}cyclopropane-1-carbaldehyde
• IUPAC Traditional name: 1-[(triisopropylsilyl)oxy]cyclopropane-1-carbaldehyde
• Synonyms: 1-[[Tris(1-methylethyl)silyl]oxy]cyclopropanecarboxaldehyde; 1-(Triisopropylsilyloxy)cyclopropylformaldehyde; 1-Formyl-1-(triisopropylsilyloxy)cyclopropane

Database IDs

• CAS Number: 220705-67-9
• PubChem SID: 162263565
• PubChem CID: 15480706

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1363
• LogD (pH = 7.4): 3.1363
• Log P: 3.1363
• Molar Refractivity: 64.1328 cm^3
• Polarizability: 27.639887 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Colourless Oil