ChemSpider 2D Image | (1aR,4Z,9R,13aS,14aR)-1a,5,9-Trimethyl-13-methylene-2,3,6,7,8,9,13,13a,14,14a-decahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-10,12(1aH,10aH)-dione | C20H28O4

(1aR,4Z,9R,13aS,14aR)-1a,5,9-Trimethyl-13-methylene-2,3,6,7,8,9,13,13a,14,14a-decahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-10,12(1aH,10aH)-dione

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID58140998

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1aR,4Z,9R,13aS,14aR)-1a,5,9-Trimethyl-13-methylen-2,3,6,7,8,9,13,13a,14,14a-decahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-10,12(1aH,10aH)-dion [German] [ACD/IUPAC Name]
(1aR,4Z,9R,13aS,14aR)-1a,5,9-Trimethyl-13-methylene-2,3,6,7,8,9,13,13a,14,14a-decahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-10,12(1aH,10aH)-dione [ACD/IUPAC Name]
(1aR,4Z,9R,13aS,14aR)-1a,5,9-Triméthyl-13-méthylène-2,3,6,7,8,9,13,13a,14,14a-décahydrooxiréno[4,5]cyclotétradéca[1,2-b]furane-10,12(1aH,10aH)-dione [French] [ACD/IUPAC Name]
Oxireno[4,5]cyclotetradeca[1,2-b]furan-10,12(1aH,10aH)-dione, 2,3,6,7,8,9,13,13a,14,14a-decahydro-1a,5,9-trimethyl-13-methylene-, (1aR,4Z,9R,13aS,14aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 217.5±28.8 °C
Index of Refraction: 1.524
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 311.92
ACD/KOC (pH 5.5): 2122.47
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.92
ACD/KOC (pH 7.4): 2122.47
Polar Surface Area: 56 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 298.4±5.0 cm3

Click to predict properties on the Chemicalize site


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