ChemSpider 2D Image | (3S,3aS,5aS,8E,9bS)-3,5a,9-Trimethyl-8-(phenylhydrazono)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one | C21H24N2O2

(3S,3aS,5aS,8E,9bS)-3,5a,9-Trimethyl-8-(phenylhydrazono)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one

  • Molecular FormulaC21H24N2O2
  • Average mass336.427 Da
  • Monoisotopic mass336.183777 Da
  • ChemSpider ID30657900

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,3aS,5aS,8E,9bS)-3,5a,9-Trimethyl-8-(phenylhydrazono)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3S,3aS,5aS,8E,9bS)-3,5a,9-Trimethyl-8-(phenylhydrazono)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one [ACD/IUPAC Name]
(3S,3aS,5aS,8E,9bS)-3,5a,9-Triméthyl-8-(phénylhydrazono)-3a,4,5,5a,8,9b-hexahydronaphto[1,2-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, 8-(2-phenylhydrazone), (3S,3aS,5aS,8E,9bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.9±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 815.38
ACD/KOC (pH 5.5): 4212.13
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 822.28
ACD/KOC (pH 7.4): 4247.74
Polar Surface Area: 51 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 272.5±7.0 cm3

Click to predict properties on the Chemicalize site


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