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Search term: 78441864 (Found by CSID)
ChemSpider 2D Image | (1R,2S,4S,5S)-1,5-Dihydroxy-4-methyl-6-methylene-2-(2-methyl-1-propen-1-yl)bicyclo[3.3.1]nonan-3-one | C15H22O3

(1R,2S,4S,5S)-1,5-Dihydroxy-4-methyl-6-methylene-2-(2-methyl-1-propen-1-yl)bicyclo[3.3.1]nonan-3-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID78441864

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,4S,5S)-1,5-Dihydroxy-4-methyl-6-methylen-2-(2-methyl-1-propen-1-yl)bicyclo[3.3.1]nonan-3-on [German] [ACD/IUPAC Name]
(1R,2S,4S,5S)-1,5-Dihydroxy-4-methyl-6-methylene-2-(2-methyl-1-propen-1-yl)bicyclo[3.3.1]nonan-3-one [ACD/IUPAC Name]
(1R,2S,4S,5S)-1,5-Dihydroxy-4-méthyl-6-méthylène-2-(2-méthyl-1-propén-1-yl)bicyclo[3.3.1]nonan-3-one [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonan-3-one, 1,5-dihydroxy-4-methyl-6-methylene-2-(2-methyl-1-propen-1-yl)-, (1R,2S,4S,5S)- [ACD/Index Name]
Colletotrichine A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 366.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.9±6.0 kJ/mol
Flash Point: 189.7±24.4 °C
Index of Refraction: 1.545
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.23
ACD/KOC (pH 5.5): 360.74
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.23
ACD/KOC (pH 7.4): 360.74
Polar Surface Area: 58 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 220.8±5.0 cm3

Click to predict properties on the Chemicalize site


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