ChemSpider 2D Image | (2R)-2,5,7,8-Tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-3,4-dihydro-2H-chromen-6-yl benzylcarbamate | C37H51NO3

(2R)-2,5,7,8-Tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-3,4-dihydro-2H-chromen-6-yl benzylcarbamate

  • Molecular FormulaC37H51NO3
  • Average mass557.806 Da
  • Monoisotopic mass557.386902 Da
  • ChemSpider ID24647877

  • 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

(2R)-2,5,7,8-Tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-3,4-dihydro-2H-chromen-6-yl benzylcarbamate [ACD/IUPAC Name]
(2R)-2,5,7,8-Tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-3,4-dihydro-2H-chromen-6-yl-benzylcarbamat [German] [ACD/IUPAC Name]
Benzylcarbamate de (2R)-2,5,7,8-tétraméthyl-2-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-(phenylmethyl)-, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-yl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 654.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 12.41
ACD/LogD (pH 5.5): 11.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 48 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 550.6±3.0 cm3

Click to predict properties on the Chemicalize site


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