ChemSpider 2D Image | (1S,3aR,6R,7S,7aS)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate | C17H26O5

(1S,3aR,6R,7S,7aS)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate

  • Molecular FormulaC17H26O5
  • Average mass310.385 Da
  • Monoisotopic mass310.178009 Da
  • ChemSpider ID58837726

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,3aR,6R,7S,7aS)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate [ACD/IUPAC Name]
(1S,3aR,6R,7S,7aS)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl-acetat [German] [ACD/IUPAC Name]
1H-Indene-1,7-dicarboxaldehyde, 4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-, (1S,3aR,6R,7S,7aS)- [ACD/Index Name]
Acétate de (1S,3aR,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tétraméthyloctahydro-1H-indén-4-yle [French] [ACD/IUPAC Name]
(1S,3aR,4S,6R,7S,7aS)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate [ACD/IUPAC Name]
Botrydial [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 397.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 134.7±21.4 °C
Index of Refraction: 1.510
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.16
ACD/KOC (pH 5.5): 255.05
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.16
ACD/KOC (pH 7.4): 255.05
Polar Surface Area: 81 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 269.6±5.0 cm3

Click to predict properties on the Chemicalize site


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