ChemSpider 2D Image | (1R,2S,3R,4Z,6Z,10Z,14S)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene-2,3-diyl diacetate | C24H36O5

(1R,2S,3R,4Z,6Z,10Z,14S)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene-2,3-diyl diacetate

  • Molecular FormulaC24H36O5
  • Average mass404.540 Da
  • Monoisotopic mass404.256287 Da
  • ChemSpider ID57641894
  • 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,2S,3R,4Z,6Z,10Z,14S)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,2S,3R,4Z,6Z,10Z,14S)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene-2,3-diyl diacetate [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadeca-4,6,10-triene-2,3-diol, 1,7,11-trimethyl-4-(1-methylethyl)-, diacetate, (1R,2S,3R,4Z,6Z,10Z,14S)- [ACD/Index Name]
Diacétate de (1R,2S,3R,4Z,6Z,10Z,14S)-4-isopropyl-1,7,11-triméthyl-15-oxabicyclo[12.1.0]pentadéca-4,6,10-triène-2,3-diyle [French] [ACD/IUPAC Name]
303966-02-1 [RN]
flaccidoxide-13-acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 203.0±28.8 °C
Index of Refraction: 1.511
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20514.56
ACD/KOC (pH 5.5): 42477.65
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20514.56
ACD/KOC (pH 7.4): 42477.65
Polar Surface Area: 65 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 379.1±5.0 cm3

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