ChemSpider 2D Image | (4aS,11bS)-2,2,4a,6-Tetramethyl-4,4a,5,7,8,11b-hexahydro-10H-[1,3]dioxino[4',5':3,4]cyclopenta[1,2-g]isochromen-10-one | C18H22O4

(4aS,11bS)-2,2,4a,6-Tetramethyl-4,4a,5,7,8,11b-hexahydro-10H-[1,3]dioxino[4',5':3,4]cyclopenta[1,2-g]isochromen-10-one

  • Molecular FormulaC18H22O4
  • Average mass302.365 Da
  • Monoisotopic mass302.151794 Da
  • ChemSpider ID78437410

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,11bS)-2,2,4a,6-Tetramethyl-4,4a,5,7,8,11b-hexahydro-10H-[1,3]dioxino[4',5':3,4]cyclopenta[1,2-g]isochromen-10-on [German] [ACD/IUPAC Name]
(4aS,11bS)-2,2,4a,6-Tetramethyl-4,4a,5,7,8,11b-hexahydro-10H-[1,3]dioxino[4',5':3,4]cyclopenta[1,2-g]isochromen-10-one [ACD/IUPAC Name]
(4aS,11bS)-2,2,4a,6-Tétraméthyl-4,4a,5,7,8,11b-hexahydro-10H-[1,3]dioxino[4',5':3,4]cyclopenta[1,2-g]isochromén-10-one [French] [ACD/IUPAC Name]
10H-Pyrano[4',3':5,6]indeno[1,2-d]-1,3-dioxin-10-one, 4,4a,5,7,8,11b-hexahydro-2,2,4a,6-tetramethyl-, (4aS,11bS)- [ACD/Index Name]
Applanatine D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 480.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 213.6±28.8 °C
Index of Refraction: 1.549
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.03
ACD/KOC (pH 5.5): 2127.86
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.03
ACD/KOC (pH 7.4): 2127.86
Polar Surface Area: 45 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 256.4±3.0 cm3

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