ChemSpider 2D Image | (7E)-3-Isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione | C25H39NO3

(7E)-3-Isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione

  • Molecular FormulaC25H39NO3
  • Average mass401.582 Da
  • Monoisotopic mass401.292999 Da
  • ChemSpider ID29814805

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-3-Isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindol-1,15(2H)-dion [German] [ACD/IUPAC Name]
(7E)-3-Isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione [ACD/IUPAC Name]
(7E)-3-Isobutyl-13-méthoxy-4,5,8-triméthyl-3,3a,4,6a,9,10,11,12,13,14-décahydro-1H-cycloundéca[d]isoindole-1,15(2H)-dione [French] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12,13,14-decahydro-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E)- [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: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4440.20
ACD/KOC (pH 5.5): 14203.78
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4440.20
ACD/KOC (pH 7.4): 14203.79
Polar Surface Area: 55 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 380.0±5.0 cm3

Click to predict properties on the Chemicalize site


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