ChemSpider 2D Image | (3aR,9R,9aS,9bS)-1,1,9,9a-Tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5H-naphtho[2,1-c][1,2]dioxol-5-one | C15H22O3

(3aR,9R,9aS,9bS)-1,1,9,9a-Tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5H-naphtho[2,1-c][1,2]dioxol-5-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID114814773

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,9R,9aS,9bS)-1,1,9,9a-Tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5H-naphtho[2,1-c][1,2]dioxol-5-on [German] [ACD/IUPAC Name]
(3aR,9R,9aS,9bS)-1,1,9,9a-Tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5H-naphtho[2,1-c][1,2]dioxol-5-one [ACD/IUPAC Name]
(3aR,9R,9aS,9bS)-1,1,9,9a-Tétraméthyl-1,3a,4,7,8,9,9a,9b-octahydro-5H-naphto[2,1-c][1,2]dioxol-5-one [French] [ACD/IUPAC Name]
5H-Naphtho[2,1-c][1,2]dioxol-5-one, 1,3a,4,7,8,9,9a,9b-octahydro-1,1,9,9a-tetramethyl-, (3aR,9R,9aS,9bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 330.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 142.0±25.2 °C
Index of Refraction: 1.522
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.78
ACD/KOC (pH 5.5): 1407.83
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.78
ACD/KOC (pH 7.4): 1407.83
Polar Surface Area: 36 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


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