2,5-dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonate

• ChemBase ID: 149398
• Molecular Formular: C10H17NO5Si
• Molecular Mass: 259.33118
• Monoisotopic Mass: 259.08759918
• SMILES: C[Si](C)(C)CCOC(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)OCC[Si](C)(C)C
• InChI: InChI=1S/C10H17NO5Si/c1-17(2,3)7-6-15-10(14)16-11-8(12)4-5-9(11)13/h4-7H2,1-3H3
• InChIKey: FLDNDAMSCINJDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonate
• Synonyms: 1-[2-(Trimethylsilyl)ethoxycarbonyloxy]pyrrolidin-2,5-dione; 1-[2-(三甲硅烷基)乙氧基羰氧基]吡咯烷-2,5-二酮

Database IDs

• CAS Number: 78269-85-9
• MDL Number: MFCD02683467
• PubChem SID: 24877776; 162243563
• PubChem CID: 5018386

CALCULATED PROPERTIES

• Acid pKa: 17.63422
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6619
• LogD (pH = 7.4): 1.6619
• Log P: 1.6619
• Molar Refractivity: 55.2517 cm^3
• Polarizability: 24.261286 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-88 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C10H17NO5Si

DETAILS

Sigma Aldrich - 530816

Packaging
1, 10 g in glass bottle