1-cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol

• ChemBase ID: 243838
• Molecular Formular: C9H16OSi
• Molecular Mass: 168.30824
• Monoisotopic Mass: 168.09704166
• SMILES: C(#C[Si](C)(C)C)C(C1CC1)O
• Canonical SMILES: OC(C1CC1)C#C[Si](C)(C)C
• InChI: InChI=1S/C9H16OSi/c1-11(2,3)7-6-9(10)8-4-5-8/h8-10H,4-5H2,1-3H3
• InChIKey: CKDDJLLDFFRJLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol
• IUPAC Traditional name: 1-cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol
• Synonyms: 1-cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol

Database IDs

• MDL Number: MFCD09833304
• PubChem SID: 164299748
• PubChem CID: 22180837

CALCULATED PROPERTIES

• Acid pKa: 13.478897
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3066
• LogD (pH = 7.4): 2.3065996
• Log P: 2.3066
• Molar Refractivity: 42.518 cm^3
• Polarizability: 19.030287 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.174

Product Information

• Purity: 95%