Found 1 result

Search term: OKZHVNGQSFNCCR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,7S)-4,8-Dioxatricyclo[5.2.2.0~2,6~]undecan-9-one | C9H12O3

(1R,7S)-4,8-Dioxatricyclo[5.2.2.02,6]undecan-9-one

  • Molecular FormulaC9H12O3
  • Average mass168.190 Da
  • Monoisotopic mass168.078644 Da
  • ChemSpider ID30651119

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,7S)-4,8-Dioxatricyclo[5.2.2.02,6]undecan-9-on [German] [ACD/IUPAC Name]
(1R,7S)-4,8-Dioxatricyclo[5.2.2.02,6]undecan-9-one [ACD/IUPAC Name]
(1R,7S)-4,8-Dioxatricyclo[5.2.2.02,6]undécan-9-one [French] [ACD/IUPAC Name]
4,7-Ethano-3H-furo[3,4-c]pyran-6(1H)-one, tetrahydro-, (4S,7R)- [ACD/Index 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: 338.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 140.2±20.5 °C
Index of Refraction: 1.515
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.12
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.12
Polar Surface Area: 36 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 135.8±3.0 cm3

Click to predict properties on the Chemicalize site


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