ChemSpider 2D Image | (2R,3R,4E,6E)-2-[(3E)-2-Acetoxy-4-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-penten-1-yl]-3-(methoxymethoxy)-8,8-dimethyl-9-oxo-4,6-nonadien-1-yl pivalate | C31H50O9

(2R,3R,4E,6E)-2-[(3E)-2-Acetoxy-4-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-penten-1-yl]-3-(methoxymethoxy)-8,8-dimethyl-9-oxo-4,6-nonadien-1-yl pivalate

  • Molecular FormulaC31H50O9
  • Average mass566.723 Da
  • Monoisotopic mass566.345459 Da
  • ChemSpider ID9203346

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,3R,4E,6E)-2-[(3E)-2-Acetoxy-4-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-penten-1-yl]-3-(methoxymethoxy)-8,8-dimethyl-9-oxo-4,6-nonadien-1-yl pivalate [ACD/IUPAC Name]
(2R,3R,4E,6E)-2-[(3E)-2-Acetoxy-4-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-penten-1-yl]-3-(methoxymethoxy)-8,8-dimethyl-9-oxo-4,6-nonadien-1-ylpivalat [German] [ACD/IUPAC Name]
Pivalate de (2R,3R,4E,6E)-2-[(3E)-2-acétoxy-4-méthyl-5-(tétrahydro-2H-pyran-2-yloxy)-3-pentén-1-yl]-3-(méthoxyméthoxy)-8,8-diméthyl-9-oxo-4,6-nonadién-1-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (2R,3R,4E,6E)-2-[(3E)-2-(acetyloxy)-4-methyl-5-[(tetrahydro-2H-pyran-2-yl)oxy]-3-penten-1-yl]-3-(methoxymethoxy)-8,8-dimethyl-9-oxo-4,6-nonadien-1-yl ester [ACD/Index 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: 625.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 256.6±31.5 °C
Index of Refraction: 1.497
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1931.43
ACD/KOC (pH 5.5): 7827.60
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1931.43
ACD/KOC (pH 7.4): 7827.60
Polar Surface Area: 107 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 526.1±5.0 cm3

Click to predict properties on the Chemicalize site


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