Basic information
- Name:
Silane,(2-bicyclo[4.2.0]octa-1,3,5-trien-3-ylethenyl)triethoxy-, (E)- (9CI)
- Superlist Name:
- 4-[2-(Triethoxysilyl)vinyl]benzocyclobutene
- CAS No.:
124389-79-3
- Molecular Structure:
![Molecular Structure of 124389-79-3 (Silane,(2-bicyclo[4.2.0]octa-1,3,5-trien-3-ylethenyl)triethoxy-, (E)- (9CI))](http://www.lookchem.com/300w/2010/073/124389-79-3.jpg)
- Formula:
- C16H24O3Si
- Molecular Weight:
- 292.45
- Synonyms:
- Bicyclo[4.2.0]octane,silane deriv.;
- Density:
- 1.047g/cm3
- Boiling Point:
- 355.8 °C at 760 mmHg
- Flash Point:
- 171.4 °C
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Specification
The 4-[2-(Triethoxysilyl)vinyl]benzocyclobutene, with CAS registry number 124389-79-3, belongs to the following product category: API intermediates. It has the systematic name of [(E)-2-(bicyclo[4.2.0]octa-1,3,5-trien-3-yl)ethenyl](triethoxy)silane. And the chemical formula of this chemical is C16H24O3Si.
Physical properties of 4-[2-(Triethoxysilyl)vinyl]benzocyclobutene: (1)ACD/LogP: 7.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.41; (4)ACD/LogD (pH 7.4): 7.41; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 27.69 Å2; (9)Index of Refraction: 1.534; (10)Molar Refractivity: 86.82 cm3; (11)Molar Volume: 279.1 cm3; (12)Polarizability: 34.41×10-24cm3; (13)Surface Tension: 33.8 dyne/cm; (14)Enthalpy of Vaporization: 57.73 kJ/mol; (15)Vapour Pressure: 6.25E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCO[Si](C=Cc1ccc2c(c1)CC2)(OCC)OCC
(2)InChI: InChI=1/C16H24O3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-7-8-15-9-10-16(15)13-14/h7-8,11-13H,4-6,9-10H2,1-3H3/b12-11+
(3)InChIKey: ACGHDHBFJDZRFF-VAWYXSNFBD
(4)Std. InChI: InChI=1S/C16H24O3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-7-8-15-9-10-16(15)13-14/h7-8,11-13H,4-6,9-10H2,1-3H3/b12-11+
(5)Std. InChIKey: ACGHDHBFJDZRFF-VAWYXSNFSA-N
