ChemSpider 2D Image | (5Z)-3b,9-Dimethyl-1-methylene-5-[(2E)-3-phenyl-2-propen-1-ylidene]-7-[(E)-2-phenylvinyl]hexahydro-3aH-furo[2',3':4,5]azuleno[1,8a-d][1,3]dioxole-2,4(1H,3bH)-dione | C33H32O5

(5Z)-3b,9-Dimethyl-1-methylene-5-[(2E)-3-phenyl-2-propen-1-ylidene]-7-[(E)-2-phenylvinyl]hexahydro-3aH-furo[2',3':4,5]azuleno[1,8a-d][1,3]dioxole-2,4(1H,3bH)-dione

  • Molecular FormulaC33H32O5
  • Average mass508.604 Da
  • Monoisotopic mass508.224976 Da
  • ChemSpider ID24622380

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5Z)-3b,9-Dimethyl-1-methylen-5-[(2E)-3-phenyl-2-propen-1-yliden]-7-[(E)-2-phenylvinyl]hexahydro-3aH-furo[2',3':4,5]azuleno[1,8a-d][1,3]dioxol-2,4(1H,3bH)-dion [German] [ACD/IUPAC Name]
(5Z)-3b,9-Dimethyl-1-methylene-5-[(2E)-3-phenyl-2-propen-1-ylidene]-7-[(E)-2-phenylvinyl]hexahydro-3aH-furo[2',3':4,5]azuleno[1,8a-d][1,3]dioxole-2,4(1H,3bH)-dione [ACD/IUPAC Name]
(5Z)-3b,9-Diméthyl-1-méthylène-5-[(2E)-3-phényl-2-propén-1-ylidène]-7-[(E)-2-phénylvinyl]hexahydro-3aH-furo[2',3':4,5]azuléno[1,8a-d][1,3]dioxole-2,4(1H,3bH)-dione [French] [ACD/IUPAC Name]
4H-Furo[2',3':4,5]azuleno[1,8a-d][1,3]dioxole-2,4(1H)-dione, octahydro-3b,9-dimethyl-1-methylene-7-[(E)-2-phenylethenyl]-5-[(2E)-3-phenyl-2-propen-1-ylidene]-, (5Z)- [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: 707.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 372.5±20.9 °C
Index of Refraction: 1.632
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15110.00
ACD/KOC (pH 5.5): 34127.57
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15110.00
ACD/KOC (pH 7.4): 34127.57
Polar Surface Area: 62 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 406.6±5.0 cm3

Click to predict properties on the Chemicalize site


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