ChemSpider 2D Image | (2Z)-3-[2-(Benzyloxy)-6-(hydroxymethyl)-4-(methoxymethoxy)phenyl]-3-[2-(benzyloxy)-7,8,8-trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-2-propen-1-ol | C37H40O9

(2Z)-3-[2-(Benzyloxy)-6-(hydroxymethyl)-4-(methoxymethoxy)phenyl]-3-[2-(benzyloxy)-7,8,8-trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-2-propen-1-ol

  • Molecular FormulaC37H40O9
  • Average mass628.708 Da
  • Monoisotopic mass628.267212 Da
  • ChemSpider ID9425659

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[2-(Benzyloxy)-6-(hydroxymethyl)-4-(methoxymethoxy)phenyl]-3-[2-(benzyloxy)-7,8,8-trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-2-propen-1-ol [ACD/IUPAC Name]
(2Z)-3-[2-(Benzyloxy)-6-(hydroxymethyl)-4-(methoxymethoxy)phenyl]-3-[2-(benzyloxy)-7,8,8-trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-2-propen-1-ol [German] [ACD/IUPAC Name]
(2Z)-3-[2-(Benzyloxy)-6-(hydroxyméthyl)-4-(méthoxyméthoxy)phényl]-3-[2-(benzyloxy)-7,8,8-triméthoxybicyclo[4.2.0]octa-1,3,5-trién-7-yl]-2-propén-1-ol [French] [ACD/IUPAC Name]
Benzenemethanol, 2-[(1Z)-3-hydroxy-1-[7,8,8-trimethoxy-2-(phenylmethoxy)bicyclo[4.2.0]octa-1,3,5-trien-7-yl]-1-propen-1-yl]-5-(methoxymethoxy)-3-(phenylmethoxy)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 780.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.7±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1264.57
ACD/KOC (pH 5.5): 5780.54
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1264.56
ACD/KOC (pH 7.4): 5780.54
Polar Surface Area: 105 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 488.2±5.0 cm3

Click to predict properties on the Chemicalize site


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