ChemSpider 2D Image | 2-{[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]oxy}tetrahydro-2H-pyran | C25H48O2

2-{[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]oxy}tetrahydro-2H-pyran

  • Molecular FormulaC25H48O2
  • Average mass380.647 Da
  • Monoisotopic mass380.365417 Da
  • ChemSpider ID23977035
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

2-{[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]oxy}tetrahydro-2H-pyran [ACD/IUPAC Name]
2-{[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]oxy}tetrahydro-2H-pyran [German] [ACD/IUPAC Name]
2-{[(2E,7R,11R)-3,7,11,15-Tétraméthyl-2-hexadécén-1-yl]oxy}tétrahydro-2H-pyrane [French] [ACD/IUPAC Name]
2H-Pyran, tetrahydro-2-[[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy]- [ACD/Index Name]
2-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]oxane
66432-63-1 [RN]
TETRAHYDROPYRANYLPHYTOL

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

Density: 0.9±0.1 g/cm3
Boiling Point: 459.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 132.5±26.3 °C
Index of Refraction: 1.468
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 8.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 847957.88
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 847957.88
Polar Surface Area: 18 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 32.2±5.0 dyne/cm
Molar Volume: 427.6±5.0 cm3

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