trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane

• ChemBase ID: 112512
• Molecular Formular: C11H22O4Si
• Molecular Mass: 246.37548
• Monoisotopic Mass: 246.12873572
• SMILES: CO[Si](CCC1CCC2OC2C1)(OC)OC
• Canonical SMILES: CO[Si](CCC1CCC2C(C1)O2)(OC)OC
• InChI: InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
• InChIKey: DQZNLOXENNXVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane
• IUPAC Traditional name: trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane
• Synonyms: β-(3,4-EPOXYCYCLOHEXYL)-ETHYLTRIMETHOXYSILANE; [2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane; 2-(7-Oxabicyclo[4.1.0]hept-3-yl)ethyl-trimethoxysilane; 3-(2-Trimethoxysilylethyl)cyclohexene oxide; [2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane; Trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane; (2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl)trimethoxysilane; 2-(3,4-环氧环己烷)乙基三甲氧基硅烷; 2-(3,4-环氧环己烷)乙基三甲氧基硅烷; 2-(7-氧杂二环[4.1.0]庚-3-基)乙基-三甲氧基硅烷; 3-(2-三甲氧基硅基乙基)氧化环己烯; 三甲氧基[2-(7-氧杂二环[4.1.0]庚-3-基)乙基]硅烷

Database IDs

• CAS Number: 3388-04-3; 155684-30-3
• EC Number: 222-217-1
• MDL Number: MFCD00014485
• Beilstein Number: 8980119
• PubChem SID: 24865857; 162098194; 24868821
• PubChem CID: 18819

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.541
• LogD (pH = 7.4): 1.541
• Log P: 1.541
• Molar Refractivity: 56.5337 cm^3
• Polarizability: 25.286945 Å^3
• Polar Surface Area: 40.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 310 °C(lit.)
• Flash Point: 146 °C; 294.8 °F
• Density: 1.065 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451; n20/D 1.451(lit.)

Safety Information

• RTECS: VV4000000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-46
• Safety Statements: 53-23-36/37/39-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H350
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95+%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C11H22O4Si

DETAILS

MP Biomedicals - 05224487

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 413321

Packaging
25 mL in poly bottle
Features and Benefits
Ring epoxide more reactive than glycidoxypropyl systems.