1-(trimethylsilyl)prop-2-en-1-ol

• ChemBase ID: 138690
• Molecular Formular: C6H14OSi
• Molecular Mass: 130.26026
• Monoisotopic Mass: 130.0813916
• SMILES: C[Si](C)(C)C(C=C)O
• Canonical SMILES: C=CC([Si](C)(C)C)O
• InChI: InChI=1S/C6H14OSi/c1-5-6(7)8(2,3)4/h5-7H,1H2,2-4H3
• InChIKey: BBLGXBVGDKCXQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trimethylsilyl)prop-2-en-1-ol
• IUPAC Traditional name: 1-(trimethylsilyl)prop-2-en-1-ol
• Synonyms: 1-(Trimethylsilyl)-2-propen-1-ol; (1-Hydroxyallyl)trimethylsilane; 1-(三甲基硅基)-2-丙烯-1-醇; (1-羟基烯丙基)三甲基硅烷

Database IDs

• CAS Number: 95061-68-0
• MDL Number: MFCD00012208
• PubChem SID: 162232941
• PubChem CID: 4419323

CALCULATED PROPERTIES

• Acid pKa: 14.493781
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3028
• LogD (pH = 7.4): 2.3028
• Log P: 2.3028
• Molar Refractivity: 32.63 cm^3
• Polarizability: 15.090553 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H14OSi