ChemSpider 2D Image | (1aR,2R,3R,3aR,5S,7bS)-2-Hydroxy-5-isopropenyl-3,3a-dimethyl-1a,3,3a,4,5,7b-hexahydronaphtho[1,2-b]oxiren-6(2H)-one | C15H20O3

(1aR,2R,3R,3aR,5S,7bS)-2-Hydroxy-5-isopropenyl-3,3a-dimethyl-1a,3,3a,4,5,7b-hexahydronaphtho[1,2-b]oxiren-6(2H)-one

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID35467340

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aR,2R,3R,3aR,5S,7bS)-2-Hydroxy-5-isopropenyl-3,3a-dimethyl-1a,3,3a,4,5,7b-hexahydronaphtho[1,2-b]oxiren-6(2H)-on [German] [ACD/IUPAC Name]
(1aR,2R,3R,3aR,5S,7bS)-2-Hydroxy-5-isopropenyl-3,3a-dimethyl-1a,3,3a,4,5,7b-hexahydronaphtho[1,2-b]oxiren-6(2H)-one [ACD/IUPAC Name]
(1aR,2R,3R,3aR,5S,7bS)-2-Hydroxy-5-isopropényl-3,3a-diméthyl-1a,3,3a,4,5,7b-hexahydronaphto[1,2-b]oxirén-6(2H)-one [French] [ACD/IUPAC Name]
Naphth[1,2-b]oxiren-6(2H)-one, 1a,3,3a,4,5,7b-hexahydro-2-hydroxy-3,3a-dimethyl-5-(1-methylethenyl)-, (1aR,2R,3R,3aR,5S,7bS)- [ACD/Index Name]
(1aR)-1aβ,3,3a,4,5,7bβ-Hexahydro-2α-hydroxy-5β-isopropenyl-3α,3aα-dimethylnaphth[1,2-b]oxiren-6(2H)-one
29400-42-8 [RN]
60048-73-9 [RN]
Eremofortin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 148.8±22.2 °C
Index of Refraction: 1.553
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.64
ACD/KOC (pH 5.5): 201.65
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.64
ACD/KOC (pH 7.4): 201.65
Polar Surface Area: 50 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 212.2±5.0 cm3

Click to predict properties on the Chemicalize site


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