ChemSpider 2D Image | (1R,2R,3E,8Z,10R,13R)-2-Methoxy-10-[(2-methoxyethoxy)methoxy]-12,15,15-trimethyl-5-oxo-6-oxabicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl benzoate | C29H38O8

(1R,2R,3E,8Z,10R,13R)-2-Methoxy-10-[(2-methoxyethoxy)methoxy]-12,15,15-trimethyl-5-oxo-6-oxabicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl benzoate

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID26391792

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3E,8Z,10R,13R)-2-Methoxy-10-[(2-methoxyethoxy)methoxy]-12,15,15-trimethyl-5-oxo-6-oxabicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl benzoate [ACD/IUPAC Name]
(1R,2R,3E,8Z,10R,13R)-2-Methoxy-10-[(2-methoxyethoxy)methoxy]-12,15,15-trimethyl-5-oxo-6-oxabicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl-benzoat [German] [ACD/IUPAC Name]
6-Oxabicyclo[9.3.1]pentadeca-3,8,11-trien-5-one, 13-(benzoyloxy)-2-methoxy-10-[(2-methoxyethoxy)methoxy]-12,15,15-trimethyl-, (1R,2R,3E,8Z,10R,13R)- [ACD/Index Name]
Benzoate de (1R,2R,3E,8Z,10R,13R)-2-méthoxy-10-[(2-méthoxyéthoxy)méthoxy]-12,15,15-triméthyl-5-oxo-6-oxabicyclo[9.3.1]pentadéca-3,8,11-trién-13-yle [French] [ACD/IUPAC 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: 631.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 265.0±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1324.26
ACD/KOC (pH 5.5): 5974.57
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1324.26
ACD/KOC (pH 7.4): 5974.57
Polar Surface Area: 90 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

Click to predict properties on the Chemicalize site


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