ChemSpider 2D Image | (1R,2R,9S,11R)-11-Hydroxy-2-methoxy-9,11-dimethyl-10-methylene-3-oxatricyclo[7.3.1.0~2,6~]tridec-5-en-4-one | C16H22O4

(1R,2R,9S,11R)-11-Hydroxy-2-methoxy-9,11-dimethyl-10-methylene-3-oxatricyclo[7.3.1.02,6]tridec-5-en-4-one

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID24719077

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,9S,11R)-11-Hydroxy-2-methoxy-9,11-dimethyl-10-methylen-3-oxatricyclo[7.3.1.02,6]tridec-5-en-4-on [German] [ACD/IUPAC Name]
(1R,2R,9S,11R)-11-Hydroxy-2-methoxy-9,11-dimethyl-10-methylene-3-oxatricyclo[7.3.1.02,6]tridec-5-en-4-one [ACD/IUPAC Name]
(1R,2R,9S,11R)-11-Hydroxy-2-méthoxy-9,11-diméthyl-10-méthylène-3-oxatricyclo[7.3.1.02,6]tridéc-5-én-4-one [French] [ACD/IUPAC Name]
6,10-Methano-2H-cyclonona[b]furan-2-one, 4,5,6,7,8,9,10,10a-octahydro-8-hydroxy-10a-methoxy-6,8-dimethyl-7-methylene-, (6S,8R,10R,10aR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521461/
hyrtiosenolide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±6.0 kJ/mol
Flash Point: 162.2±22.2 °C
Index of Refraction: 1.551
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.66
ACD/KOC (pH 5.5): 201.91
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.66
ACD/KOC (pH 7.4): 201.91
Polar Surface Area: 56 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 233.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement