ChemSpider 2D Image | 2-Methyl-3-[(2E,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthoquinone | C31H46O2

2-Methyl-3-[(2E,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthoquinone

  • Molecular FormulaC31H46O2
  • Average mass450.696 Da
  • Monoisotopic mass450.349792 Da
  • ChemSpider ID31047379
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1,4-Naphthalenedione, 2-methyl-3-[(2E,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]- [ACD/Index Name]
2-Methyl-3-[(2E,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-Methyl-3-[(2E,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthoquinone [ACD/IUPAC Name]
2-Méthyl-3-[(2E,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]-1,4-naphtoquinone [French] [ACD/IUPAC Name]
16033-41-3 [RN]
cis-Vitamin K1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 546.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 200.4±27.1 °C
Index of Refraction: 1.511
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 12.25
ACD/LogD (pH 5.5): 9.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3622088.00
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3622088.00
Polar Surface Area: 34 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

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