ChemSpider 2D Image | 2,2'-Dinor-beta,beta-carotene-3,4,3',4'-tetraone | C38H44O4

2,2'-Dinor-β,β-carotene-3,4,3',4'-tetraone

  • Molecular FormulaC38H44O4
  • Average mass564.754 Da
  • Monoisotopic mass564.323975 Da
  • ChemSpider ID4528473

  • Double-bond stereo - Double-bond stereo

More details:

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

2,2'-Dinor-β,β-carotene-3,4,3',4'-tetraone
3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[3,5,5-trimethyl-, (all-E)-
3-Cyclopentene-1,2-dione, 4,4'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl]bis[3,5,5-trimethyl- [ACD/Index Name]
4,4'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17- octadecanonaene-1,18-diyl)bis(3,5,5-trimethyl-3- cyclopentene-1,2-dione)
4,4'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaen-1,18-diyl]bis(3,5,5-trimethyl-3-cyclopenten-1,2-dion) [German] [ACD/IUPAC Name]
4,4'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl]bis(3,5,5-trimethyl-3-cyclopentene-1,2-dione) [ACD/IUPAC Name]
4,4'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tétraméthyl-1,3,5,7,9,11,13,15,17-octadécanonaène-1,18-diyl]bis(3,5,5-triméthyl-3-cyclopentène-1,2-dione) [French] [ACD/IUPAC Name]
2,2'-Dinor-β,β-carotene-3,4,3',4'-tetrone
22453-06-1 [RN]
28275-20-9 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 292.4±28.1 °C
Index of Refraction: 1.596
Molar Refractivity: 177.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 106232.99
ACD/KOC (pH 5.5): 137839.98
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 106232.99
ACD/KOC (pH 7.4): 137839.98
Polar Surface Area: 68 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 520.6±3.0 cm3

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