ChemSpider 2D Image | 4-{2-[(8R)-6,8-Dimethyl-8-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-1,8,9,10-tetrahydrochromeno[5,6-e][1,3]oxazin-2(3H)-yl]ethyl}phenol | C37H51NO3

4-{2-[(8R)-6,8-Dimethyl-8-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-1,8,9,10-tetrahydrochromeno[5,6-e][1,3]oxazin-2(3H)-yl]ethyl}phenol

  • Molecular FormulaC37H51NO3
  • Average mass557.806 Da
  • Monoisotopic mass557.386902 Da
  • ChemSpider ID30812027

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{2-[(8R)-6,8-Dimethyl-8-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-1,8,9,10-tetrahydrochromeno[5,6-e][1,3]oxazin-2(3H)-yl]ethyl}phenol [German] [ACD/IUPAC Name]
4-{2-[(8R)-6,8-Dimethyl-8-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-1,8,9,10-tetrahydrochromeno[5,6-e][1,3]oxazin-2(3H)-yl]ethyl}phenol [ACD/IUPAC Name]
4-{2-[(8R)-6,8-Diméthyl-8-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-1,8,9,10-tétrahydrochroméno[5,6-e][1,3]oxazin-2(3H)-yl]éthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 4-[2-[(8R)-1,8,9,10-tetrahydro-6,8-dimethyl-8-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]pyrano[3,2-f][1,3]benzoxazin-2(3H)-yl]ethyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 661.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 353.6±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.12
ACD/LogD (pH 5.5): 9.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1497519.88
ACD/LogD (pH 7.4): 10.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7518712.00
Polar Surface Area: 42 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 536.6±3.0 cm3

Click to predict properties on the Chemicalize site


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