(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yltriethoxysilane

• ChemBase ID: 134441
• Molecular Formular: C13H24O3Si
• Molecular Mass: 256.41336
• Monoisotopic Mass: 256.14947116
• SMILES: CCO[Si](C1C[C@@H]2C[C@H]1C=C2)(OCC)OCC
• Canonical SMILES: CCO[Si](C1C[C@@H]2C[C@H]1C=C2)(OCC)OCC
• InChI: InChI=1S/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3/t11-,12+,13?/m0/s1
• InChIKey: HHKDWDAAEFGBAC-LAGVYOHYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,4S)-bicyclo[2.2.1]hept-5-en-2-yltriethoxysilane
• IUPAC Traditional name: (1S,4S)-bicyclo[2.2.1]hept-5-en-2-yltriethoxysilane
• Synonyms: 5-(Triethoxysilyl)-2-norbornene; 5-(Triethoxysilyl)bicyclo[2.2.1]hept-2-ene; (Bicyclo[2.2.1]hept-5-en-2-yl)triethoxysilane; 5-(三乙氧基甲硅烷基)-2-降冰片烯; 5-(三乙氧基甲硅烷基)双环[2.2.1]庚-2-烯; 二环[2.2.1]-5-庚烯-2-基三乙氧基硅烷

Database IDs

• CAS Number: 18401-43-9
• EC Number: 242-278-8
• MDL Number: MFCD00167591
• Beilstein Number: 3294009
• PubChem SID: 24848594; 162228717
• PubChem CID: 11054286

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7564
• LogD (pH = 7.4): 2.7564
• Log P: 2.7564
• Molar Refractivity: 65.7072 cm^3
• Polarizability: 27.989712 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 208.4 °F; 98 °C
• Density: 0.99 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.45

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: technical
• Empirical Formula (Hill Notation): C13H24O3Si