5-(trimethylsilyl)pent-4-yn-1-ol

• ChemBase ID: 142116
• Molecular Formular: C8H16OSi
• Molecular Mass: 156.29754
• Monoisotopic Mass: 156.09704166
• SMILES: C[Si](C)(C)C#CCCCO
• Canonical SMILES: OCCCC#C[Si](C)(C)C
• InChI: InChI=1S/C8H16OSi/c1-10(2,3)8-6-4-5-7-9/h9H,4-5,7H2,1-3H3
• InChIKey: LIHAMNSEAAPIRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(trimethylsilyl)pent-4-yn-1-ol
• IUPAC Traditional name: 5-(trimethylsilyl)pent-4-yn-1-ol
• Synonyms: 5-(Trimethylsilyl)-4-pentyn-1-ol; 5-(三甲基硅烷基)-4-戊炔-1-醇

Database IDs

• CAS Number: 13224-84-5
• MDL Number: MFCD00190229
• PubChem SID: 24883746; 162236347
• PubChem CID: 2760861

CALCULATED PROPERTIES

• Acid pKa: 16.815891
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1741
• LogD (pH = 7.4): 2.1741
• Log P: 2.1741
• Molar Refractivity: 40.2618 cm^3
• Polarizability: 17.917534 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76 °C/15 mmHg(lit.)
• Flash Point: 183.2 °F; 84 °C
• Density: 0.861 g/mL at 25 °C
• Refractive Index: n20/D 1.457

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C8H16OSi

DETAILS

Sigma Aldrich - 650315

Packaging
5, 25 g in glass bottle