ChemSpider 2D Image | (1aR,7aR,8S,11aS,14R,15aR)-8-Chloro-14-methyloctahydro-2H-oxireno[e][2]benzoxacyclotetradecine-6,9,11,12(3H,7H,8H,10H)-tetrone | C18H23ClO6

(1aR,7aR,8S,11aS,14R,15aR)-8-Chloro-14-methyloctahydro-2H-oxireno[e][2]benzoxacyclotetradecine-6,9,11,12(3H,7H,8H,10H)-tetrone

  • Molecular FormulaC18H23ClO6
  • Average mass370.825 Da
  • Monoisotopic mass370.118317 Da
  • ChemSpider ID25059143

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aR,7aR,8S,11aS,14R,15aR)-8-Chlor-14-methyloctahydro-2H-oxireno[e][2]benzoxacyclotetradecin-6,9,11,12(3H,7H,8H,10H)-tetron [German] [ACD/IUPAC Name]
(1aR,7aR,8S,11aS,14R,15aR)-8-Chloro-14-methyloctahydro-2H-oxireno[e][2]benzoxacyclotetradecine-6,9,11,12(3H,7H,8H,10H)-tetrone [ACD/IUPAC Name]
(1aR,7aR,8S,11aS,14R,15aR)-8-Chloro-14-méthyloctahydro-2H-oxiréno[e][2]benzoxacyclotétradécine-6,9,11,12(3H,7H,8H,10H)-tétrone [French] [ACD/IUPAC Name]
2H-Oxireno[e][2]benzoxacyclotetradecin-6,9,11,12(3H,7H,8H,10H)-tetrone, 8-chlorooctahydro-14-methyl-, (1aR,7aR,8S,11aS,14R,15aR)- [ACD/Index Name]
(1S,4R,6R,8R,15R,16S)-16-chloro-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadecane-2,13,17,19-tetrone
I60EH8GECX
Radicicol [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 243.0±30.5 °C
Index of Refraction: 1.532
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 85.83
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.13
Polar Surface Area: 90 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

Click to predict properties on the Chemicalize site


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