ChemSpider 2D Image | (1S,2S,4R,6E,8S,13R,15R)-2-Ethoxy-6,14,14-trimethyl-10-methylene-3,16-dioxatetracyclo[11.3.2.0~1,15~.0~4,15~]octadec-6-ene-4,8-diol | C22H34O5

(1S,2S,4R,6E,8S,13R,15R)-2-Ethoxy-6,14,14-trimethyl-10-methylene-3,16-dioxatetracyclo[11.3.2.01,15.04,15]octadec-6-ene-4,8-diol

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID40256584

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,4R,6E,8S,13R,15R)-2-Ethoxy-6,14,14-trimethyl-10-methylen-3,16-dioxatetracyclo[11.3.2.01,15.04,15]octadec-6-en-4,8-diol [German] [ACD/IUPAC Name]
(1S,2S,4R,6E,8S,13R,15R)-2-Ethoxy-6,14,14-trimethyl-10-methylene-3,16-dioxatetracyclo[11.3.2.01,15.04,15]octadec-6-ene-4,8-diol [ACD/IUPAC Name]
(1S,2S,4R,6E,8S,13R,15R)-2-Éthoxy-6,14,14-triméthyl-10-méthylène-3,16-dioxatétracyclo[11.3.2.01,15.04,15]octadéc-6-ène-4,8-diol [French] [ACD/IUPAC Name]
2H-1a,12-Ethano-3aH-cyclododec[b]oxireno[c]furan-3a,7-diol, 2-ethoxy-4,7,8,9,10,11,12,13-octahydro-5,13,13-trimethyl-9-methylene-, (1aS,2S,3aR,5E,7S,12R,13aR)- [ACD/Index 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: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 275.45
ACD/KOC (pH 5.5): 1941.74
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 275.45
ACD/KOC (pH 7.4): 1941.71
Polar Surface Area: 71 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 319.6±5.0 cm3

Click to predict properties on the Chemicalize site


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