Found 13 results

Search term: BXRGGUXPWTWACZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S,3aS,5aS,9R,9aR,9bS)-3,5a,9-Trimethyloctahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione | C15H22O3

(3S,3aS,5aS,9R,9aR,9bS)-3,5a,9-Trimethyloctahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID68024112

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,3aS,5aS,9R,9aR,9bS)-3,5a,9-Trimethyloctahydronaphtho[1,2-b]furan-2,8(3H,4H)-dion [German] [ACD/IUPAC Name]
(3S,3aS,5aS,9R,9aR,9bS)-3,5a,9-Trimethyloctahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione [ACD/IUPAC Name]
(3S,3aS,5aS,9R,9aR,9bS)-3,5a,9-Triméthyloctahydronaphto[1,2-b]furane-2,8(3H,4H)-dione [French] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-2,8(3H,4H)-dione, octahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9R,9aR,9bS)- [ACD/Index Name]
17956-11-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 396.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 175.4±23.2 °C
Index of Refraction: 1.494
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.20
ACD/KOC (pH 5.5): 255.51
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.20
ACD/KOC (pH 7.4): 255.51
Polar Surface Area: 43 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 231.4±3.0 cm3

Click to predict properties on the Chemicalize site


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