ChemSpider 2D Image | 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalenediyl diacetate | C35H52O4

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

  • Molecular FormulaC35H52O4
  • Average mass536.785 Da
  • Monoisotopic mass536.386536 Da
  • ChemSpider ID4945460

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Naphthalenediol, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-, diacetate [ACD/Index Name]
2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalenediyl diacetate [ACD/IUPAC Name]
2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalindiyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de 2-méthyl-3-[(2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]-1,4-naphtalènediyle [French] [ACD/IUPAC Name]
(R-(R*,R*(E)))-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenediol diacetate
1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, diacetate, (R-(R*,R*(E)))-
604-87-5 [RN]
Vitamin K1 diacetate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 603.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 289.9±29.9 °C
Index of Refraction: 1.521
Molar Refractivity: 164.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 12.18
ACD/LogD (pH 5.5): 10.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 539.6±3.0 cm3

Click to predict properties on the Chemicalize site


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