ChemSpider 2D Image | (2R,3R)-3,4-Diformyl-1,1,3,5-tetramethyl-2,3-dihydro-1H-inden-2-yl acetate | C17H20O4

(2R,3R)-3,4-Diformyl-1,1,3,5-tetramethyl-2,3-dihydro-1H-inden-2-yl acetate

  • Molecular FormulaC17H20O4
  • Average mass288.338 Da
  • Monoisotopic mass288.136169 Da
  • ChemSpider ID78441300

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-3,4-Diformyl-1,1,3,5-tetramethyl-2,3-dihydro-1H-inden-2-yl acetate [ACD/IUPAC Name]
(2R,3R)-3,4-Diformyl-1,1,3,5-tetramethyl-2,3-dihydro-1H-inden-2-yl-acetat [German] [ACD/IUPAC Name]
1H-Indene-1,7-dicarboxaldehyde, 2-(acetyloxy)-2,3-dihydro-1,3,3,6-tetramethyl-, (1R,2R)- [ACD/Index Name]
Acétate de (2R,3R)-3,4-diformyl-1,1,3,5-tétraméthyl-2,3-dihydro-1H-indén-2-yle [French] [ACD/IUPAC Name]
7α-Acetoxydehydrobotrydienal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 175.9±28.8 °C
Index of Refraction: 1.540
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.47
ACD/KOC (pH 5.5): 1855.26
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.47
ACD/KOC (pH 7.4): 1855.26
Polar Surface Area: 60 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 249.2±5.0 cm3

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