ChemSpider 2D Image | 2-(Trimethylsilyl)ethyl (1'R,2S,2'R,3S,5R,6'R,8'R,9'S,10'S)-8'-allyl-9'-iodo-3,5,10'-trimethyl-1H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.0~2,6~]dodecane]-1-carboxylate | C25H42INO5Si

2-(Trimethylsilyl)ethyl (1'R,2S,2'R,3S,5R,6'R,8'R,9'S,10'S)-8'-allyl-9'-iodo-3,5,10'-trimethyl-1H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.02,6]dodecane]-1-carboxylate

  • Molecular FormulaC25H42INO5Si
  • Average mass591.595 Da
  • Monoisotopic mass591.187683 Da
  • ChemSpider ID30659960

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-(Trimethylsilyl)ethyl (1'R,2S,2'R,3S,5R,6'R,8'R,9'S,10'S)-8'-allyl-9'-iodo-3,5,10'-trimethyl-1H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.02,6]dodecane]-1-carboxylate [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 568.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 69264.75
ACD/KOC (pH 5.5): 101489.05
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 69264.75
ACD/KOC (pH 7.4): 101489.05
Polar Surface Area: 57 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 446.2±5.0 cm3

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