ChemSpider 2D Image | (4aR,7R,7aS)-4a,7,7a-Trimethyl-4a,5,6,7,7a,8-hexahydro-4H-indeno[5,6-b]furan-4-one | C14H18O2

(4aR,7R,7aS)-4a,7,7a-Trimethyl-4a,5,6,7,7a,8-hexahydro-4H-indeno[5,6-b]furan-4-one

  • Molecular FormulaC14H18O2
  • Average mass218.292 Da
  • Monoisotopic mass218.130676 Da
  • ChemSpider ID26348466
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4aR,7R,7aS)-4a,7,7a-Trimethyl-4a,5,6,7,7a,8-hexahydro-4H-indeno[5,6-b]furan-4-on [German] [ACD/IUPAC Name]
(4aR,7R,7aS)-4a,7,7a-Trimethyl-4a,5,6,7,7a,8-hexahydro-4H-indeno[5,6-b]furan-4-one [ACD/IUPAC Name]
(4aR,7R,7aS)-4a,7,7a-Triméthyl-4a,5,6,7,7a,8-hexahydro-4H-indéno[5,6-b]furan-4-one [French] [ACD/IUPAC Name]
4H-Indeno[5,6-b]furan-4-one, 4a,5,6,7,7a,8-hexahydro-4a,7,7a-trimethyl-, (4aR,7R,7aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 294.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 133.8±11.4 °C
Index of Refraction: 1.527
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.77
ACD/KOC (pH 5.5): 2683.12
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 432.77
ACD/KOC (pH 7.4): 2683.12
Polar Surface Area: 30 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 199.3±3.0 cm3

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