ChemSpider 2D Image | (2R,4aR)-4a-Hydroxy-2,9,9-trimethyl-5-methylenehexahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one | C15H20O4

(2R,4aR)-4a-Hydroxy-2,9,9-trimethyl-5-methylenehexahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID24846702
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

(2R,4aR)-4a-Hydroxy-2,9,9-trimethyl-5-methylenehexahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one [ACD/IUPAC Name]
(2R,4aR)-4a-Hydroxy-2,9,9-triméthyl-5-méthylènehexahydro-8H-oxiréno[1,7a]indéno[3a,4-b]furan-6(2H)-one [French] [ACD/IUPAC Name]
(2R,4aR)-4a-Hydroxy-2,9,9-trimethyl-5-methylenhexahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-on [German] [ACD/IUPAC Name]
8H-Oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one, hexahydro-4a-hydroxy-2,9,9-trimethyl-5-methylene-, (2R,4aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 451.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 171.4±22.2 °C
Index of Refraction: 1.575
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.29
ACD/KOC (pH 5.5): 197.34
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.29
ACD/KOC (pH 7.4): 197.34
Polar Surface Area: 59 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 205.8±5.0 cm3

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