ChemSpider 2D Image | Methyl 2-[(1S,3S,4R,7Z,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-7-cyclotetradecen-1-yl]acrylate | C21H36O6

Methyl 2-[(1S,3S,4R,7Z,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-7-cyclotetradecen-1-yl]acrylate

  • Molecular FormulaC21H36O6
  • Average mass384.507 Da
  • Monoisotopic mass384.251190 Da
  • ChemSpider ID58134142

  • 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

2-[(1S,3S,4R,7Z,11R,12S)-3,4,11,12-Tétrahydroxy-4,8,12-triméthyl-7-cyclotétradécén-1-yl]acrylate de méthyle [French] [ACD/IUPAC Name]
7-Cyclotetradecene-1-acetic acid, 3,4,11,12-tetrahydroxy-4,8,12-trimethyl-α-methylene-, methyl ester, (1S,3S,4R,7Z,11R,12S)- [ACD/Index Name]
Methyl 2-[(1S,3S,4R,7Z,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-7-cyclotetradecen-1-yl]acrylate [ACD/IUPAC Name]
Methyl-2-[(1S,3S,4R,7Z,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-7-cyclotetradecen-1-yl]acrylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 165.7±23.6 °C
Index of Refraction: 1.508
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.06
ACD/KOC (pH 5.5): 787.43
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.06
ACD/KOC (pH 7.4): 787.43
Polar Surface Area: 107 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 350.0±3.0 cm3

Click to predict properties on the Chemicalize site


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