ChemSpider 2D Image | (2E)-4-[(2R,6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-beta,psi-caroten-2-yl]-2-methyl-2-buten-1-ol | C45H66O

(2E)-4-[(2R,6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-β,ψ-caroten-2-yl]-2-methyl-2-buten-1-ol

  • Molecular FormulaC45H66O
  • Average mass623.005 Da
  • Monoisotopic mass622.511353 Da
  • ChemSpider ID59700333

  • 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

(2E)-4-[(2R,6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-β,ψ-caroten-2-yl]-2-methyl-2-buten-1-ol [ACD/IUPAC Name]
(2E)-4-[(2R,6R)-4,5-Didéhydro-5,6,7',8'-tétrahydro-β,ψ-carotén-2-yl]-2-méthyl-2-butén-1-ol [French] [ACD/IUPAC Name]
(2E)-4-[(2R,6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-β,ψ-carotin-2-yl]-2-methyl-2-buten-1-ol [German] [ACD/IUPAC Name]
2-Buten-1-ol, 4-[(2R,6R)-4,5-didehydro-5,6,7',8'-tetrahydro-β,ψ-caroten-2-yl]-2-methyl-, (2E)- [ACD/Index Name]
(2R,6R)-2-(4-Hydroxy-3-methylbut-2-enyl)-7',8'-dihydro-ε,ψ-carotene
11',12'-Dehydrononaprenoxanthin

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

Density: 0.9±0.1 g/cm3
Boiling Point: 713.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 152.5±26.1 °C
Index of Refraction: 1.539
Molar Refractivity: 211.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 16.17
ACD/LogD (pH 5.5): 14.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 83.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 673.6±3.0 cm3

Click to predict properties on the Chemicalize site


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