ChemSpider 2D Image | 2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-1,4-dihydro-1,4-naphthalenediol | C30H48O2

2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-1,4-dihydro-1,4-naphthalenediol

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID58829785

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1,4-Naphthalenediol, 1,4-dihydro-2-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]- [ACD/Index Name]
2-[(2E,7R,11R)-3,7,11,15-Tétraméthyl-2-hexadécén-1-yl]-1,4-dihydro-1,4-naphtalènediol [French] [ACD/IUPAC Name]
2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-1,4-dihydro-1,4-naphthalenediol [ACD/IUPAC Name]
2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-1,4-dihydro-1,4-naphthalindiol [German] [ACD/IUPAC Name]
3-phytyl-1,4-naphtoquinol
demethylphylloquinol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 230.9±24.7 °C
Index of Refraction: 1.526
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 10.28
ACD/LogD (pH 5.5): 8.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 848223.31
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 848220.50
Polar Surface Area: 40 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 450.8±3.0 cm3

Click to predict properties on the Chemicalize site


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