ChemSpider 2D Image | (2R,4R,6S,8E,11R,12S,13E)-6,9,11,16-Tetramethyl-7-methylene-8,13,16-heptadecatriene-1,2,4,12-tetrol | C22H38O4

(2R,4R,6S,8E,11R,12S,13E)-6,9,11,16-Tetramethyl-7-methylene-8,13,16-heptadecatriene-1,2,4,12-tetrol

  • Molecular FormulaC22H38O4
  • Average mass366.535 Da
  • Monoisotopic mass366.277008 Da
  • ChemSpider ID35516797

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4R,6S,8E,11R,12S,13E)-6,9,11,16-Tetramethyl-7-methylen-8,13,16-heptadecatrien-1,2,4,12-tetrol [German] [ACD/IUPAC Name]
(2R,4R,6S,8E,11R,12S,13E)-6,9,11,16-Tetramethyl-7-methylene-8,13,16-heptadecatriene-1,2,4,12-tetrol [ACD/IUPAC Name]
(2R,4R,6S,8E,11R,12S,13E)-6,9,11,16-Tétraméthyl-7-méthylène-8,13,16-heptadécatriène-1,2,4,12-tétrol [French] [ACD/IUPAC Name]
8,13,16-Heptadecatriene-1,2,4,12-tetrol, 6,9,11,16-tetramethyl-7-methylene-, (2R,4R,6S,8E,11R,12S,13E)- [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: 530.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 229.3±24.7 °C
Index of Refraction: 1.517
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 269.84
ACD/KOC (pH 5.5): 1913.34
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 269.84
ACD/KOC (pH 7.4): 1913.34
Polar Surface Area: 81 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

Click to predict properties on the Chemicalize site


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