ChemSpider 2D Image | 2,5-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-7,8-chromanediol | C27H40O3

2,5-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-7,8-chromanediol

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID26349128
  • Double-bond stereo - Double-bond stereo


More details:






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

2,5-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-7,8-chromandiol [German] [ACD/IUPAC Name]
2,5-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-7,8-chromanediol [ACD/IUPAC Name]
2,5-Diméthyl-2-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-7,8-chromanediol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-7,8-diol, 3,4-dihydro-2,5-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 539.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 280.3±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.23
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 577247.50
ACD/KOC (pH 5.5): 462964.66
ACD/LogD (pH 7.4): 7.88
ACD/BCF (pH 7.4): 574983.00
ACD/KOC (pH 7.4): 461148.47
Polar Surface Area: 50 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 407.8±3.0 cm3

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