ChemSpider 2D Image | (2E)-4-(beta,beta-Caroten-2-yl)-2-methyl-2-buten-1-ol | C45H64O

(2E)-4-(β,β-Caroten-2-yl)-2-methyl-2-buten-1-ol

  • Molecular FormulaC45H64O
  • Average mass620.989 Da
  • Monoisotopic mass620.495728 Da
  • ChemSpider ID59700336

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(β,β-Caroten-2-yl)-2-methyl-2-buten-1-ol [ACD/IUPAC Name]
(2E)-4-(β,β-Carotén-2-yl)-2-méthyl-2-butén-1-ol [French] [ACD/IUPAC Name]
(2E)-4-(β,β-Carotin-2-yl)-2-methyl-2-buten-1-ol [German] [ACD/IUPAC Name]
2-Buten-1-ol, 4-β,β-caroten-2-yl-2-methyl-, (2E)- [ACD/Index Name]
2-(4-Hydroxy-3-methylbut-2-enyl)-β,β-carotene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 729.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 164.1±20.6 °C
Index of Refraction: 1.563
Molar Refractivity: 210.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 15.99
ACD/LogD (pH 5.5): 14.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 83.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 648.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement