ChemSpider 2D Image | 2-(~2~H_3_)Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-(~2~H_4_)naphthalenedione | C31H39D7O2

2-(2H3)Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-(2H4)naphthalenedione

  • Molecular FormulaC31H39D7O2
  • Average mass457.739 Da
  • Monoisotopic mass457.393707 Da
  • ChemSpider ID28508549
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

1,4-Naphthalenedione-5,6,7,8-d4, 2-(methyl-d3)-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]- [ACD/Index Name]
2-(2H3)Méthyl-3-[(2E)-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]-1,4-(2H4)naphtalènedione [French] [ACD/IUPAC Name]
2-(2H3)Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-(2H4)naphthalenedione [ACD/IUPAC Name]
2-(2H3)Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-(2H4)naphthalindion [German] [ACD/IUPAC Name]
VITAMIN K1-D7

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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