ChemSpider 2D Image | (1R,3S,4S,6S,7S,8R)-8-Methoxy-3-methyl-10-methylene-2,9-dioxatricyclo[4.3.1.0~3,7~]decan-4-ol | C11H16O4

(1R,3S,4S,6S,7S,8R)-8-Methoxy-3-methyl-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

  • Molecular FormulaC11H16O4
  • Average mass212.242 Da
  • Monoisotopic mass212.104858 Da
  • ChemSpider ID33823901

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3S,4S,6S,7S,8R)-8-Methoxy-3-methyl-10-methylen-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol [German] [ACD/IUPAC Name]
(1R,3S,4S,6S,7S,8R)-8-Methoxy-3-methyl-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol [ACD/IUPAC Name]
(1R,3S,4S,6S,7S,8R)-8-Méthoxy-3-méthyl-10-méthylène-2,9-dioxatricyclo[4.3.1.03,7]décan-4-ol [French] [ACD/IUPAC Name]
2,5-Methanocyclopenta[d]-1,3-dioxin-7-ol, hexahydro-4-methoxy-7a-methyl-8-methylene-, (2R,4R,4aS,5S,7S,7aS)- [ACD/Index Name]
1-O-Methyljatamanin D
54656-47-2 [RN]
MFCD28100283

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

Density: 1.3±0.1 g/cm3
Boiling Point: 311.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 142.0±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.31
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 44.31
Polar Surface Area: 48 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 169.1±5.0 cm3

Click to predict properties on the Chemicalize site


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