ChemSpider 2D Image | (2S)-2,5,7,8-Tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyl-1,3,5,7,11-tridecapentaen-1-yl]-6-chromanol | C29H40O2

(2S)-2,5,7,8-Tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyl-1,3,5,7,11-tridecapentaen-1-yl]-6-chromanol

  • Molecular FormulaC29H40O2
  • Average mass420.627 Da
  • Monoisotopic mass420.302826 Da
  • ChemSpider ID34994559

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,5,7,8-Tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyl-1,3,5,7,11-tridecapentaen-1-yl]-6-chromanol [German] [ACD/IUPAC Name]
(2S)-2,5,7,8-Tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyl-1,3,5,7,11-tridecapentaen-1-yl]-6-chromanol [ACD/IUPAC Name]
(2S)-2,5,7,8-Tétraméthyl-2-[(1E,3E,5E,7E)-4,8,12-triméthyl-1,3,5,7,11-tridécapentaén-1-yl]-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(1E,3E,5E,7E)-4,8,12-trimethyl-1,3,5,7,11-tridecapentaen-1-yl]-, (2S)- [ACD/Index Name]
545399-88-0 [RN]
FEAOX-6
UNII-UU87WO570Z

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

Density: 1.0±0.1 g/cm3
Boiling Point: 561.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 238.6±24.4 °C
Index of Refraction: 1.569
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2184301.25
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2184049.50
Polar Surface Area: 29 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 417.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement