ChemSpider 2D Image | (16aR,20bS)-17,20-Bis(dodecyloxy)-1,2,3,4,5,6,6a,10b,11,12,13,14,15,16,16a,20b-hexadecahydrodicyclonona[fg,op]tetracene-7,10-dione | C54H82O4

(16aR,20bS)-17,20-Bis(dodecyloxy)-1,2,3,4,5,6,6a,10b,11,12,13,14,15,16,16a,20b-hexadecahydrodicyclonona[fg,op]tetracene-7,10-dione

  • Molecular FormulaC54H82O4
  • Average mass795.227 Da
  • Monoisotopic mass794.621338 Da
  • ChemSpider ID8923209

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(16aR,20bS)-17,20-Bis(dodecyloxy)-1,2,3,4,5,6,6a,10b,11,12,13,14,15,16,16a,20b-hexadecahydrodicyclonona[fg,op]tetracen-7,10-dion [German] [ACD/IUPAC Name]
(16aR,20bS)-17,20-Bis(dodecyloxy)-1,2,3,4,5,6,6a,10b,11,12,13,14,15,16,16a,20b-hexadecahydrodicyclonona[fg,op]tetracene-7,10-dione [ACD/IUPAC Name]
(16aR,20bS)-17,20-Bis(dodécyloxy)-1,2,3,4,5,6,6a,10b,11,12,13,14,15,16,16a,20b-hexadécahydrodicyclonona[fg,op]tétracène-7,10-dione [French] [ACD/IUPAC Name]
Dicyclonona[fg,op]naphthacene-7,10-dione, 17,20-bis(dodecyloxy)-1,2,3,4,5,6,6a,10b,11,12,13,14,15,16,16a,20b-hexadecahydro-, (16aR,20bS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 826.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 317.3±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 241.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 20.57
ACD/LogD (pH 5.5): 19.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 95.6±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 758.0±5.0 cm3

Click to predict properties on the Chemicalize site


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