ChemSpider 2D Image | (2R,2'R)-2,2'-Dimethyl-beta,beta-carotene | C42H60

(2R,2'R)-2,2'-Dimethyl-β,β-carotene

  • Molecular FormulaC42H60
  • Average mass564.926 Da
  • Monoisotopic mass564.469482 Da
  • ChemSpider ID20143678
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,2'R)-2,2'-Dimethyl-β,β-carotene [ACD/IUPAC Name]
(2R,2'R)-2,2'-Diméthyl-β,β-carotène [French] [ACD/IUPAC Name]
(2R,2'R)-2,2'-Dimethyl-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 2,2'-dimethyl-, (2R,2'R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 666.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 94.5±0.8 kJ/mol
Flash Point: 355.5±17.2 °C
Index of Refraction: 1.553
Molar Refractivity: 195.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 14.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 610.1±3.0 cm3

Click to predict properties on the Chemicalize site






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