ChemSpider 2D Image | 3,5,7,9,11,13,15-Heptakis(2-methylpropyl)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane-1-propanethiol | C31H70O12SSi8

3,5,7,9,11,13,15-Heptakis(2-methylpropyl)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane-1-propanethiol

  • Molecular FormulaC31H70O12SSi8
  • Average mass891.629 Da
  • Monoisotopic mass890.274231 Da
  • ChemSpider ID3487965

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(3,5,7,9,11,13,15-Heptaisobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasilox-1-yl)-1-propanethiol [ACD/IUPAC Name]
3-(3,5,7,9,11,13,15-Heptaisobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasilox-1-yl)-1-propanethiol [French] [ACD/IUPAC Name]
3-(3,5,7,9,11,13,15-Heptaisobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasilox-1-yl)-1-propanthiol [German] [ACD/IUPAC Name]
3,5,7,9,11,13,15-Heptakis(2-methylpropyl)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane-1-propanethiol
480438-85-5 [RN]
Pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane-1-propanethiol, 3,5,7,9,11,13,15-heptakis(2-methylpropyl)- [ACD/Index Name]
1-(3-MERCAPTO)PROPYL-3,5,7,9,11,13,15-ISO BUTYLPENTACYCLO-OCTASILOXANE
1-(3-MERCAPTO)PROPYL-3,5,7,9,11,13,15-ISOBUTYLPENTACYCLO[9.5.1.1(3,9).1(5,15).1(7,13)]OCTASILOXANE
1-(3-Mercapto)propyl-3,5,7,9,11,13,15-isobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propane-1-thiol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 556.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 290.3±30.7 °C
Index of Refraction: 1.487
Molar Refractivity: 234.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 150 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 29.0±5.0 dyne/cm
Molar Volume: 813.2±5.0 cm3

Click to predict properties on the Chemicalize site


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