ChemSpider 2D Image | obtusallene V | C15H18Br3ClO3

obtusallene V

  • Molecular FormulaC15H18Br3ClO3
  • Average mass521.467 Da
  • Monoisotopic mass517.849426 Da
  • ChemSpider ID21105595
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 546.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 284.1±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: 3.65
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.39
ACD/KOC (pH 5.5): 2912.78
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.39
ACD/KOC (pH 7.4): 2912.78
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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