Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | (1R,1'R,2S,2'S,3R,3'R,4R,4'R)-4,4',7,7,7',7'-Hexamethyl-2,2'-bi(bicyclo[2.2.1]heptane)-3,3'-diyl bis[3-(3,4-dimethoxyphenyl)-3-oxopropanoate] | C42H54O10

(1R,1'R,2S,2'S,3R,3'R,4R,4'R)-4,4',7,7,7',7'-Hexamethyl-2,2'-bi(bicyclo[2.2.1]heptane)-3,3'-diyl bis[3-(3,4-dimethoxyphenyl)-3-oxopropanoate]

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID9368471

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,1'R,2S,2'S,3R,3'R,4R,4'R)-4,4',7,7,7',7'-Hexamethyl-2,2'-bi(bicyclo[2.2.1]heptan)-3,3'-diyl-bis[3-(3,4-dimethoxyphenyl)-3-oxopropanoat] [German] [ACD/IUPAC Name]
(1R,1'R,2S,2'S,3R,3'R,4R,4'R)-4,4',7,7,7',7'-Hexamethyl-2,2'-bi(bicyclo[2.2.1]heptane)-3,3'-diyl bis[3-(3,4-dimethoxyphenyl)-3-oxopropanoate] [ACD/IUPAC Name]
Benzenepropanoic acid, 3,4-dimethoxy-β-oxo-, (1R,1'R,2S,2'S,3R,3'R,4R,4'R)-4,4',7,7,7',7'-hexamethyl[2,2'-bibicyclo[2.2.1]heptane]-3,3'-diyl ester [ACD/Index Name]
Bis[3-(3,4-diméthoxyphényl)-3-oxopropanoate] de (1R,1'R,2S,2'S,3R,3'R,4R,4'R)-4,4',7,7,7',7'-hexaméthyl-2,2'-bi(bicyclo[2.2.1]heptane)-3,3'-diyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 293.8±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 193.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 693222.69
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 692335.00
Polar Surface Area: 124 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 586.6±5.0 cm3

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