ChemSpider 2D Image | (4aR,8aS)-3,8a-Dimethyl-4a,8a-dihydronaphtho[2,3-b]furan-2,8(4H,5H)-dione | C14H14O3

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

  • Molecular FormulaC14H14O3
  • Average mass230.259 Da
  • Monoisotopic mass230.094299 Da
  • ChemSpider ID57641872
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4aR,8aS)-3,8a-Dimethyl-4a,8a-dihydronaphtho[2,3-b]furan-2,8(4H,5H)-dion [German] [ACD/IUPAC Name]
(4aR,8aS)-3,8a-Dimethyl-4a,8a-dihydronaphtho[2,3-b]furan-2,8(4H,5H)-dione [ACD/IUPAC Name]
(4aR,8aS)-3,8a-Diméthyl-4a,8a-dihydronaphto[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-dihydro-3,8a-dimethyl-, (4aR,8aS)- [ACD/Index Name]
1187534-34-4 [RN]
4a[α]H-3,5[α],8[β]a- trimethyl-4,4a,8a-trihydronaphtho-([2,3b]-dihydrofuran-2- one)-8-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 205.8±28.8 °C
Index of Refraction: 1.585
Molar Refractivity: 61.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.28
ACD/KOC (pH 5.5): 267.59
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.28
ACD/KOC (pH 7.4): 267.59
Polar Surface Area: 43 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 184.2±5.0 cm3

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