ChemSpider 2D Image | (2R,3'S,3a'R)-5'-[(1E)-5-(3-Furyl)-2-methyl-1-penten-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5H-spiro[furan-2,4'-inden]-5-one | C25H32O4

(2R,3'S,3a'R)-5'-[(1E)-5-(3-Furyl)-2-methyl-1-penten-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5H-spiro[furan-2,4'-inden]-5-one

  • Molecular FormulaC25H32O4
  • Average mass396.519 Da
  • Monoisotopic mass396.230072 Da
  • ChemSpider ID30813976

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2R,3'S,3a'R)-5'-[(1E)-5-(3-Furyl)-2-methyl-1-penten-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5H-spiro[furan-2,4'-inden]-5-on [German] [ACD/IUPAC Name]
(2R,3'S,3a'R)-5'-[(1E)-5-(3-Furyl)-2-methyl-1-penten-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5H-spiro[furan-2,4'-inden]-5-one [ACD/IUPAC Name]
(2R,3'S,3a'R)-5'-[(1E)-5-(3-Furyl)-2-méthyl-1-pentén-1-yl]-3-hydroxy-3',4,7'-triméthyl-1',2',3',3a',5',7a'-hexahydro-5H-spiro[furan-2,4'-inden]-5-one [French] [ACD/IUPAC Name]
Spiro[furan-2(5H),4'-[4H]inden]-5-one, 5'-[(1E)-5-(3-furanyl)-2-methyl-1-penten-1-yl]-1',2',3',3'a,5',7'a-hexahydro-3-hydroxy-3',4,7'-trimethyl-, (2R,3'S,3a'R)- [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: 552.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 287.9±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 3249.65
ACD/KOC (pH 5.5): 5751.52
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 56.06
ACD/KOC (pH 7.4): 99.22
Polar Surface Area: 60 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 341.4±5.0 cm3

Click to predict properties on the Chemicalize site


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