ChemSpider 2D Image | (3R,3a'R,4S,5R,7a'S)-4-Hydroxy-5-methoxy-3',3',6'-trimethyl-1',3',3a',4,4',5,5',7a'-octahydrospiro[furan-3,2'-inden]-2-one | C16H24O4

(3R,3a'R,4S,5R,7a'S)-4-Hydroxy-5-methoxy-3',3',6'-trimethyl-1',3',3a',4,4',5,5',7a'-octahydrospiro[furan-3,2'-inden]-2-one

  • Molecular FormulaC16H24O4
  • Average mass280.359 Da
  • Monoisotopic mass280.167450 Da
  • ChemSpider ID44210830

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,3a'R,4S,5R,7a'S)-4-Hydroxy-5-methoxy-3',3',6'-trimethyl-1',3',3a',4,4',5,5',7a'-octahydrospiro[furan-3,2'-inden]-2-on [German] [ACD/IUPAC Name]
(3R,3a'R,4S,5R,7a'S)-4-Hydroxy-5-methoxy-3',3',6'-trimethyl-1',3',3a',4,4',5,5',7a'-octahydrospiro[furan-3,2'-inden]-2-one [ACD/IUPAC Name]
(3R,3a'R,4S,5R,7a'S)-4-Hydroxy-5-méthoxy-3',3',6'-triméthyl-1',3',3a',4,4',5,5',7a'-octahydrospiro[furan-3,2'-inden]-2-one [French] [ACD/IUPAC Name]
Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1',3',3'a,4,5,6',7',7'a-octahydro-4-hydroxy-5-methoxy-1',1',5'-trimethyl-, (3R,3a'S,4S,5R,7a'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: 431.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 156.3±22.2 °C
Index of Refraction: 1.537
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.72
ACD/KOC (pH 5.5): 467.89
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.72
ACD/KOC (pH 7.4): 467.89
Polar Surface Area: 56 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 239.3±5.0 cm3

Click to predict properties on the Chemicalize site


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