ChemSpider 2D Image | (2S,9aS)-2,6-Dibromo-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-ol | C16H20Br2O2

(2S,9aS)-2,6-Dibromo-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-ol

  • Molecular FormulaC16H20Br2O2
  • Average mass404.137 Da
  • Monoisotopic mass401.983002 Da
  • ChemSpider ID58816579
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2S,9aS)-2,6-Dibrom-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-ol [German] [ACD/IUPAC Name]
(2S,9aS)-2,6-Dibromo-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-ol [ACD/IUPAC Name]
(2S,9aS)-2,6-Dibromo-1,1,4a-triméthyl-2,3,4,4a,9,9a-hexahydro-1H-xanthén-7-ol [French] [ACD/IUPAC Name]
1H-Xanthen-7-ol, 2,6-dibromo-2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl-, (2S,9aS)- [ACD/Index Name]
(2S,4aR,9aS)-2,6-Dibromo-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-7-ol [ACD/IUPAC Name]
(7S,8AS,10AR)-3,7-DIBROMO-8,8,10A-TRIMETHYL-6,7,8A,9-TETRAHYDRO-5H-XANTHEN-2-OL
124962-11-4 [RN]
cymobarbatol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 425.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 210.8±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29720.29
ACD/KOC (pH 5.5): 55378.71
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28751.16
ACD/KOC (pH 7.4): 53572.91
Polar Surface Area: 29 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 261.4±3.0 cm3

Click to predict properties on the Chemicalize site






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