ChemSpider 2D Image | (1aR,4Z,8Z,10aR,13aS,14aR)-4,8,14a-Trimethyl-11-methylene-1a,3,6,7,10,10a,11,13a,14,14a-decahydrooxireno[12,13]cyclotetradeca[1,2-b]furan-12(2H)-one | C20H28O3

(1aR,4Z,8Z,10aR,13aS,14aR)-4,8,14a-Trimethyl-11-methylene-1a,3,6,7,10,10a,11,13a,14,14a-decahydrooxireno[12,13]cyclotetradeca[1,2-b]furan-12(2H)-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID30651678

  • 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

(1aR,4Z,8Z,10aR,13aS,14aR)-4,8,14a-Trimethyl-11-methylen-1a,3,6,7,10,10a,11,13a,14,14a-decahydrooxireno[12,13]cyclotetradeca[1,2-b]furan-12(2H)-on [German] [ACD/IUPAC Name]
(1aR,4Z,8Z,10aR,13aS,14aR)-4,8,14a-Trimethyl-11-methylene-1a,3,6,7,10,10a,11,13a,14,14a-decahydrooxireno[12,13]cyclotetradeca[1,2-b]furan-12(2H)-one [ACD/IUPAC Name]
(1aR,4Z,8Z,10aR,13aS,14aR)-4,8,14a-Triméthyl-11-méthylène-1a,3,6,7,10,10a,11,13a,14,14a-décahydrooxiréno[12,13]cyclotétradéca[1,2-b]furan-12(2H)-one [French] [ACD/IUPAC Name]
Oxireno[12,13]cyclotetradeca[1,2-b]furan-12(2H)-one, 1a,3,6,7,10,10a,11,13a,14,14a-decahydro-4,8,14a-trimethyl-11-methylene-, (1aR,4Z,8Z,10aR,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: 468.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 201.6±23.3 °C
Index of Refraction: 1.531
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2223.20
ACD/KOC (pH 5.5): 8656.91
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2223.20
ACD/KOC (pH 7.4): 8656.91
Polar Surface Area: 39 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement