ChemSpider 2D Image | (4aR,8aR,9aS)-3,8a-Dimethyl-4a,8a,9,9a-tetrahydronaphtho[2,3-b]furan-2,8(4H,5H)-dione | C14H16O3

(4aR,8aR,9aS)-3,8a-Dimethyl-4a,8a,9,9a-tetrahydronaphtho[2,3-b]furan-2,8(4H,5H)-dione

  • Molecular FormulaC14H16O3
  • Average mass232.275 Da
  • Monoisotopic mass232.109940 Da
  • ChemSpider ID57641871

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aR,8aR,9aS)-3,8a-Dimethyl-4a,8a,9,9a-tetrahydronaphtho[2,3-b]furan-2,8(4H,5H)-dion [German] [ACD/IUPAC Name]
(4aR,8aR,9aS)-3,8a-Dimethyl-4a,8a,9,9a-tetrahydronaphtho[2,3-b]furan-2,8(4H,5H)-dione [ACD/IUPAC Name]
(4aR,8aR,9aS)-3,8a-Diméthyl-4a,8a,9,9a-tétrahydronaphto[2,3-b]furane-2,8(4H,5H)-dione [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2,8(4H,5H)-dione, 4a,8a,9,9a-tetrahydro-3,8a-dimethyl-, (4aR,8aR,9aS)- [ACD/Index Name]
1187534-33-3 [RN]
4a[α]H-3,5[α],8[β]a- trimethyl-4,4a,8a,9-tetrahydronaphtho-([2,3b]-dihydrofuran-2-one)-8-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 426.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 192.4±28.8 °C
Index of Refraction: 1.561
Molar Refractivity: 62.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.13
ACD/KOC (pH 5.5): 287.73
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.13
ACD/KOC (pH 7.4): 287.73
Polar Surface Area: 43 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 191.6±5.0 cm3

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