ChemSpider 2D Image | (4R,8R,9S,11S)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradeca-1(13),2-dien-9-yl (2Z)-2-methyl-2-butenoate | C20H22O6

(4R,8R,9S,11S)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID32778626

  • 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

(2Z)-2-Méthyl-2-buténoate de (4R,8R,9S,11S)-2,11-diméthyl-7-méthylène-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tétradéca-1(13),2-dién-9-yle [French] [ACD/IUPAC Name]
(4R,8R,9S,11S)-2,11-Dimethyl-7-methylen-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(4R,8R,9S,11S)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3aR,4S,6S,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester, (2Z)- [ACD/Index Name]
2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11a-octahydro- 6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4S*(Z),6R*,10Z,11aR*]]-
77448-64-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 249.4±30.2 °C
Index of Refraction: 1.558
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.58
ACD/KOC (pH 5.5): 747.46
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.58
ACD/KOC (pH 7.4): 747.46
Polar Surface Area: 79 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 287.1±5.0 cm3

Click to predict properties on the Chemicalize site


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