ChemSpider 2D Image | (1S,2S,3S)-1-Ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)indane | C24H32O6

(1S,2S,3S)-1-Ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)indane

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID28425505

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,3S)-1-Ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)indan [German] [ACD/IUPAC Name]
(1S,2S,3S)-1-Ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)indane [ACD/IUPAC Name]
(1S,2S,3S)-1-Éthyl-4,5,7-triméthoxy-2-méthyl-3-(2,4,5-triméthoxyphényl)indane [French] [ACD/IUPAC Name]
1H-Indene, 1-ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-, (1S,2S,3S)- [ACD/Index Name]
80434-33-9 [RN]
rel-(1R,2R,3R)-1-Ethyl-2,3-dihydro-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-1H-indene
[80434-33-9] [RN]
MFCD20274728
γ-Diasarone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 192.4±28.6 °C
Index of Refraction: 1.521
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1360.45
ACD/KOC (pH 5.5): 6091.01
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1360.45
ACD/KOC (pH 7.4): 6091.01
Polar Surface Area: 55 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 384.3±3.0 cm3

Click to predict properties on the Chemicalize site


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