Found 1 result

Search term: 78440910 (Found by CSID)
ChemSpider 2D Image | (1R,2R,3aR,4S,6R)-1,7-Diformyl-4-hydroxy-1,3,3,6-tetramethyl-2,3,3a,4,5,6-hexahydro-1H-inden-2-yl acetate | C17H24O5

(1R,2R,3aR,4S,6R)-1,7-Diformyl-4-hydroxy-1,3,3,6-tetramethyl-2,3,3a,4,5,6-hexahydro-1H-inden-2-yl acetate

  • Molecular FormulaC17H24O5
  • Average mass308.370 Da
  • Monoisotopic mass308.162384 Da
  • ChemSpider ID78440910

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 150.1±22.2 °C
Index of Refraction: 1.523
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.19
ACD/KOC (pH 5.5): 489.58
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.19
ACD/KOC (pH 7.4): 489.58
Polar Surface Area: 81 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 262.2±5.0 cm3

Click to predict properties on the Chemicalize site


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