ChemSpider 2D Image | (1R,2R,5S,6R,7R,8R,9R,12E)-6-Isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.0~2,7~]pentadeca-3,12-dien-9-yl acetate | C23H36O4

(1R,2R,5S,6R,7R,8R,9R,12E)-6-Isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-yl acetate

  • Molecular FormulaC23H36O4
  • Average mass376.530 Da
  • Monoisotopic mass376.261353 Da
  • ChemSpider ID40256504

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,5S,6R,7R,8R,9R,12E)-6-Isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-yl acetate [ACD/IUPAC Name]
(1R,2R,5S,6R,7R,8R,9R,12E)-6-Isopropyl-5-methoxy-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-yl-acetat [German] [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecen-6-ol, 3,4,4a,5,6,7,8,11,12,12a-decahydro-3-methoxy-1,6,10-trimethyl-4-(1-methylethyl)-, acetate, (3S,4R,4aR,5R,6R,9E,12R,12aR)- [ACD/Index Name]
Acétate de (1R,2R,5S,6R,7R,8R,9R,12E)-6-isopropyl-5-méthoxy-3,9,13-triméthyl-15-oxatricyclo[6.6.1.02,7]pentadéca-3,12-dién-9-yle [French] [ACD/IUPAC 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: 446.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 189.8±28.8 °C
Index of Refraction: 1.513
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5222.75
ACD/KOC (pH 5.5): 15953.82
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5222.75
ACD/KOC (pH 7.4): 15953.82
Polar Surface Area: 45 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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