ChemSpider 2D Image | 9-[3-Allyl-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione | C35H34O5

9-[3-Allyl-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID79590518

More details:

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

1H-Xanthene-1,8(2H)-dione, 9-[3-ethoxy-4-(1-naphthalenylmethoxy)-5-(2-propen-1-yl)phenyl]-3,4,5,6,7,9-hexahydro- [ACD/Index Name]
9-[3-Allyl-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthen-1,8(2H)-dion [German] [ACD/IUPAC Name]
9-[3-Allyl-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione [ACD/IUPAC Name]
9-[3-Allyl-5-éthoxy-4-(1-naphtylméthoxy)phényl]-3,4,5,6,7,9-hexahydro-1H-xanthène-1,8(2H)-dione [French] [ACD/IUPAC 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: 718.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 300.1±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 42929.26
ACD/KOC (pH 5.5): 72062.20
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 42929.26
ACD/KOC (pH 7.4): 72062.20
Polar Surface Area: 62 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 427.5±5.0 cm3

Click to predict properties on the Chemicalize site


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