ChemSpider 2D Image | 2-[(3E,7E,11E,15Z,19E)-16-(Hydroxymethyl)-4,8,12,20,24-pentamethyl-3,7,11,15,19,23-pentacosahexaen-1-yl]-2-methyl-2H-chromen-6-ol | C41H60O3

2-[(3E,7E,11E,15Z,19E)-16-(Hydroxymethyl)-4,8,12,20,24-pentamethyl-3,7,11,15,19,23-pentacosahexaen-1-yl]-2-methyl-2H-chromen-6-ol

  • Molecular FormulaC41H60O3
  • Average mass600.913 Da
  • Monoisotopic mass600.454224 Da
  • ChemSpider ID10481041

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E,7E,11E,15Z,19E)-16-(Hydroxymethyl)-4,8,12,20,24-pentamethyl-3,7,11,15,19,23-pentacosahexaen-1-yl]-2-methyl-2H-chromen-6-ol [ACD/IUPAC Name]
2-[(3E,7E,11E,15Z,19E)-16-(Hydroxymethyl)-4,8,12,20,24-pentamethyl-3,7,11,15,19,23-pentacosahexaen-1-yl]-2-methyl-2H-chromen-6-ol [German] [ACD/IUPAC Name]
2-[(3E,7E,11E,15Z,19E)-16-(Hydroxyméthyl)-4,8,12,20,24-pentaméthyl-3,7,11,15,19,23-pentacosahexaén-1-yl]-2-méthyl-2H-chromén-6-ol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 2-[(3E,7E,11E,15Z,19E)-16-(hydroxymethyl)-4,8,12,20,24-pentamethyl-3,7,11,15,19,23-pentacosahexaen-1-yl]-2-methyl- [ACD/Index Name]
2'[hydroxy]hexaprenyl-2'-methylchromenol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.2±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 190.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 13.99
ACD/LogD (pH 5.5): 12.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 50 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 611.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement