ChemSpider 2D Image | (3aS,5aR,8aS)-2,2,7,7-Tetramethyl-5-(nitromethyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) | C12H19NO7

(3aS,5aR,8aS)-2,2,7,7-Tetramethyl-5-(nitromethyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name)

  • Molecular FormulaC12H19NO7
  • Average mass289.282 Da
  • Monoisotopic mass289.116150 Da
  • ChemSpider ID111309073

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3aS,5aR,8aS)-2,2,7,7-Tetramethyl-5-(nitromethyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) [German] [ACD/IUPAC Name]
(3aS,5aR,8aS)-2,2,7,7-Tetramethyl-5-(nitromethyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) [ACD/IUPAC Name]
(3aS,5aR,8aS)-2,2,7,7-Tétraméthyl-5-(nitrométhyl)tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyrane (non-preferred name) [French] [ACD/IUPAC 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: 380.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 158.4±28.5 °C
Index of Refraction: 1.459
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.93
ACD/KOC (pH 5.5): 595.61
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 40.92
ACD/KOC (pH 7.4): 460.54
Polar Surface Area: 92 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

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