ChemSpider 2D Image | (1R,4S,5R,8S,9R,12R,13R)-1,5-Dimethyl-9-(~2~H_3_)methyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-ol | C15H21D3O5

(1R,4S,5R,8S,9R,12R,13R)-1,5-Dimethyl-9-(2H3)methyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol

  • Molecular FormulaC15H21D3O5
  • Average mass287.366 Da
  • Monoisotopic mass287.181213 Da
  • ChemSpider ID8764752

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,4S,5R,8S,9R,12R,13R)-1,5-Dimethyl-9-(2H3)methyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,12R,13R)-1,5-Dimethyl-9-(2H3)methyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,12R,13R)-1,5-Diméthyl-9-(2H3)méthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécan-10-ol [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol, decahydro-3,6-dimethyl-9-(methyl-d3)-, (3R,5aS,6R,8aS,9R,12R,12aR)- [ACD/Index 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: 375.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.1±6.0 kJ/mol
Flash Point: 181.0±27.9 °C
Index of Refraction: 1.543
Molar Refractivity: 71.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.51
ACD/KOC (pH 5.5): 465.98
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.51
ACD/KOC (pH 7.4): 465.97
Polar Surface Area: 57 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 227.6±5.0 cm3

Click to predict properties on the Chemicalize site


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