ChemSpider 2D Image | (1S,6S,7S)-4,4-Dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.0~2,6~]undecan-7-ol (non-preferred name) | C9H14O5

(1S,6S,7S)-4,4-Dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (non-preferred name)

  • Molecular FormulaC9H14O5
  • Average mass202.204 Da
  • Monoisotopic mass202.084122 Da
  • ChemSpider ID117035399

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S,6S,7S)-4,4-Dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (non-preferred name) [German] [ACD/IUPAC Name]
(1S,6S,7S)-4,4-Dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (non-preferred name) [ACD/IUPAC Name]
(1S,6S,7S)-4,4-Diméthyl-3,5,10,11-tétraoxatricyclo[6.2.1.02,6]undécan-7-ol (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 337.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.3±6.0 kJ/mol
Flash Point: 157.8±26.5 °C
Index of Refraction: 1.495
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 112.43
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.14
ACD/KOC (pH 7.4): 112.42
Polar Surface Area: 57 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 156.8±3.0 cm3

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