Found 1 result

Search term: VUENFPCMCJCNEG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,8R,12Z)-6-Isopropenyl-3-methoxy-4,13-dimethyl-15-oxatricyclo[6.6.1.0~2,7~]pentadeca-3,12-dien-9-one | C20H28O3

(1R,8R,12Z)-6-Isopropenyl-3-methoxy-4,13-dimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID30651124

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1R,8R,12Z)-6-Isopropenyl-3-methoxy-4,13-dimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-on [German] [ACD/IUPAC Name]
(1R,8R,12Z)-6-Isopropenyl-3-methoxy-4,13-dimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-one [ACD/IUPAC Name]
(1R,8R,12Z)-6-Isopropényl-3-méthoxy-4,13-diméthyl-15-oxatricyclo[6.6.1.02,7]pentadéca-3,12-dién-9-one [French] [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecen-6(4H)-one, 3,4a,5,7,8,11,12,12a-octahydro-1-methoxy-2,10-dimethyl-4-(1-methylethenyl)-, (5R,9Z,12R)- [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: 461.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 224.7±15.1 °C
Index of Refraction: 1.527
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 741.93
ACD/KOC (pH 5.5): 3946.47
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 741.93
ACD/KOC (pH 7.4): 3946.47
Polar Surface Area: 36 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 294.8±5.0 cm3

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