ChemSpider 2D Image | (3aR,8aR)-3a,8-Dimethyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-5-yl methylcarbamate | C14H18N2O3

(3aR,8aR)-3a,8-Dimethyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-5-yl methylcarbamate

  • Molecular FormulaC14H18N2O3
  • Average mass262.304 Da
  • Monoisotopic mass262.131744 Da
  • ChemSpider ID23268270
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aR,8aR)-3a,8-Dimethyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-5-yl methylcarbamate [ACD/IUPAC Name]
(3aR,8aR)-3a,8-Dimethyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-5-yl-methylcarbamat [German] [ACD/IUPAC Name]
2H-Furo[2,3-b]indol-5-ol, 3,3a,8,8a-tetrahydro-3a,8-dimethyl-, methylcarbamate (ester), (3aR,8aR)- [ACD/Index Name]
Méthylcarbamate de (3aR,8aR)-3a,8-diméthyl-3,3a,8,8a-tétrahydro-2H-furo[2,3-b]indol-5-yle [French] [ACD/IUPAC Name]
methyl-carbamic acid (3aR,8aR)-3a,8-dimethyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-5-yl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 398.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.5±27.9 °C
Index of Refraction: 1.566
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.05
ACD/KOC (pH 5.5): 168.03
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.11
ACD/KOC (pH 7.4): 169.21
Polar Surface Area: 51 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 216.1±3.0 cm3

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