ChemSpider 2D Image | (1S,3R,4R,1'''S,3'''R,4'''R)-3,3'-[(1E,3E)-1,3-Butadiene-1,4-diylbis(oxy)]bis(4,7,7-trimethyl-1',3'-dihydrospiro[bicyclo[2.2.1]heptane-2,2'-indene]) | C40H50O2

(1S,3R,4R,1'''S,3'''R,4'''R)-3,3'-[(1E,3E)-1,3-Butadiene-1,4-diylbis(oxy)]bis(4,7,7-trimethyl-1',3'-dihydrospiro[bicyclo[2.2.1]heptane-2,2'-indene])

  • Molecular FormulaC40H50O2
  • Average mass562.824 Da
  • Monoisotopic mass562.381104 Da
  • ChemSpider ID9083115

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3R,4R,1'''S,3'''R,4'''R)-3,3'-[(1E,3E)-1,3-Butadiene-1,4-diylbis(oxy)]bis(4,7,7-trimethyl-1',3'-dihydrospiro[bicyclo[2.2.1]heptane-2,2'-indene]) [ACD/IUPAC Name]
Spiro[bicyclo[2.2.1]heptane-2,2'-[2H]indene], 3,3'-[(1E,3E)-1,3-butadiene-1,4-diylbis(oxy)]bis[1',3'-dihydro-4,7,7-trimethyl-, (1S,3R,4R,1'''S,3'''R,4'''R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 666.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 198.0±31.0 °C
Index of Refraction: 1.614
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 11.47
ACD/LogD (pH 5.5): 9.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6275756.50
ACD/LogD (pH 7.4): 9.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6275756.50
Polar Surface Area: 18 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 493.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement