ChemSpider 2D Image | (7'cis)-beta,kappa-Carotene-3',6'-dione | C40H54O2

(7'cis)-β,κ-Carotene-3',6'-dione

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID35014995
  • Double-bond stereo - Double-bond stereo


More details:






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

(7'cis)-β,κ-Carotene-3',6'-dione [ACD/IUPAC Name]
(7'cis)-β,κ-Carotène-3',6'-dione [French] [ACD/IUPAC Name]
(7'cis)-β,κ-Carotin-3',6'-dion [German] [ACD/IUPAC Name]
β,κ-Carotene-3',6'-dione, (7'cis)- [ACD/Index Name]
3,3,4-trimethyl-4-[(2Z,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohex-1-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]cyclopentan-1-one
89195-47-1 [RN]
Cryptocapsone

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 696.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 247.8±26.6 °C
Index of Refraction: 1.549
Molar Refractivity: 184.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.34
ACD/LogD (pH 5.5): 10.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8980134.00
ACD/LogD (pH 7.4): 10.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8980134.00
Polar Surface Area: 34 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 580.0±3.0 cm3

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