Found 1 result

Search term: JHBATSSGORALFQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aR,8aR,9aS)-9a-Hydroxy-3,8a-dimethyl-4a,8a,9,9a-tetrahydronaphtho[2,3-b]furan-2,8(4H,5H)-dione | C14H16O4

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

  • Molecular FormulaC14H16O4
  • Average mass248.274 Da
  • Monoisotopic mass248.104858 Da
  • ChemSpider ID57641869

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aR,8aR,9aS)-9a-Hydroxy-3,8a-dimethyl-4a,8a,9,9a-tetrahydronaphtho[2,3-b]furan-2,8(4H,5H)-dion [German] [ACD/IUPAC Name]
(4aR,8aR,9aS)-9a-Hydroxy-3,8a-dimethyl-4a,8a,9,9a-tetrahydronaphtho[2,3-b]furan-2,8(4H,5H)-dione [ACD/IUPAC Name]
(4aR,8aR,9aS)-9a-Hydroxy-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-9a-hydroxy-3,8a-dimethyl-, (4aR,8aR,9aS)- [ACD/Index Name]
1187534-32-2 [RN]
9a[β]-hydroxy- 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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 478.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 186.1±22.2 °C
Index of Refraction: 1.588
Molar Refractivity: 63.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.26
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.23
Polar Surface Area: 64 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 188.9±5.0 cm3

Click to predict properties on the Chemicalize site


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