Found 19 results

Search term: MF = 'C_{17}H_{21}IO_{3}'
ChemSpider 2D Image | (1S,2R,5R,8R,9R)-5-(Iodomethyl)-5-methyl-8-phenyl-3,4,7-trioxatricyclo[7.2.1.0~2,8~]dodecane | C17H21IO3

(1S,2R,5R,8R,9R)-5-(Iodomethyl)-5-methyl-8-phenyl-3,4,7-trioxatricyclo[7.2.1.02,8]dodecane

  • Molecular FormulaC17H21IO3
  • Average mass400.251 Da
  • Monoisotopic mass400.053528 Da
  • ChemSpider ID74107056

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,5R,8R,9R)-5-(Iodmethyl)-5-methyl-8-phenyl-3,4,7-trioxatricyclo[7.2.1.02,8]dodecan [German] [ACD/IUPAC Name]
(1S,2R,5R,8R,9R)-5-(Iodomethyl)-5-methyl-8-phenyl-3,4,7-trioxatricyclo[7.2.1.02,8]dodecane [ACD/IUPAC Name]
(1S,2R,5R,8R,9R)-5-(Iodométhyl)-5-méthyl-8-phényl-3,4,7-trioxatricyclo[7.2.1.02,8]dodécane [French] [ACD/IUPAC Name]
6,9-Methano-1,2,5-benzotrioxepin, octahydro-3-(iodomethyl)-3-methyl-5a-phenyl-, (3R,5aR,6R,9S,9aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 428.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 213.2±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1408.66
ACD/KOC (pH 5.5): 6244.75
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1408.66
ACD/KOC (pH 7.4): 6244.75
Polar Surface Area: 28 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 265.3±3.0 cm3

Click to predict properties on the Chemicalize site


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