ChemSpider 2D Image | (6RS,6'RS)-.epsilon.,.epsilon.-Carotene-3,3'-dione | C40H52O2

(6RS,6'RS)-ε,ε-Carotene-3,3'-dione

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID4581802

  • Double-bond stereo - Double-bond stereo

More details:

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

(6RS,6'RS)-ε,ε-Carotene-3,3'-dione
28840-14-4 [RN]
4,4'-Didehydro-6,6'-dihydro-β,β-carotene-3,3'-dione [ACD/IUPAC Name]
4,4'-Didéhydro-6,6'-dihydro-β,β-carotène-3,3'-dione [French] [ACD/IUPAC Name]
4,4'-Didehydro-6,6'-dihydro-β,β-carotin-3,3'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-dione, 4,4'-didehydro-6,6'-dihydro- [ACD/Index Name]
3,3'-Diketo-ε-carotene
3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one
E,e-Carotene-3,3'-dione
ε,ε-Carotene-3,3'-dione

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

NSC713074 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 695.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 247.6±28.5 °C
Index of Refraction: 1.570
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 9.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3237512.50
ACD/LogD (pH 7.4): 9.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3237512.50
Polar Surface Area: 34 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 567.1±3.0 cm3

Click to predict properties on the Chemicalize site


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