ChemSpider 2D Image | (1R,2S,4R,5S,6S,8S,10S,11R)-2,11-Dibromo-8-(3-bromopropadienyl)-5-chloro-6-methyl-7,13,14-trioxatricyclo[8.2.1.1~1,4~]tetradecane | C15H18Br3ClO3

(1R,2S,4R,5S,6S,8S,10S,11R)-2,11-Dibromo-8-(3-bromopropadienyl)-5-chloro-6-methyl-7,13,14-trioxatricyclo[8.2.1.11,4]tetradecane

  • Molecular FormulaC15H18Br3ClO3
  • Average mass521.467 Da
  • Monoisotopic mass517.849426 Da
  • ChemSpider ID10263512
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1R,2S,4R,5S,6S,8S,10S,11R)-2,11-Dibrom-8-(3-brompropadienyl)-5-chlor-6-methyl-7,13,14-trioxatricyclo[8.2.1.11,4]tetradecan [German] [ACD/IUPAC Name]
(1R,2S,4R,5S,6S,8S,10S,11R)-2,11-Dibromo-8-(3-bromopropadienyl)-5-chloro-6-methyl-7,13,14-trioxatricyclo[8.2.1.11,4]tetradecane [ACD/IUPAC Name]
(1R,2S,4R,5S,6S,8S,10S,11R)-2,11-Dibromo-8-(3-bromopropadiényl)-5-chloro-6-méthyl-7,13,14-trioxatricyclo[8.2.1.11,4]tétradécane [French] [ACD/IUPAC Name]
7,13,14-Trioxatricyclo[8.2.1.11,4]tetradecane, 2,11-dibromo-8-(3-bromo-1,2-propadienyl)-5-chloro-6-methyl-, (1R,2S,4R,5S,6S,8S,10S,11R)- [ACD/Index Name]
7,13,14-trioxatricyclo[8.2.1.11,4]tetradecane, 2,11-dibromo-8-[(1S)-3-bromo-1,2-propadienyl]-5-chloro-6-methyl-, (1R,2S,4R,5S,6S,8S,10S,11R)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.37
ACD/KOC (pH 5.5): 2843.65
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.37
ACD/KOC (pH 7.4): 2843.65
Polar Surface Area: 28 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

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