ChemSpider 2D Image | (1R,2E,6E,9E)-3,7,11,11-Tetramethyl-8-oxo-2,6,9-cycloundecatrien-1-yl (9Z)-9-octadecenoate | C33H54O3

(1R,2E,6E,9E)-3,7,11,11-Tetramethyl-8-oxo-2,6,9-cycloundecatrien-1-yl (9Z)-9-octadecenoate

  • Molecular FormulaC33H54O3
  • Average mass498.780 Da
  • Monoisotopic mass498.407288 Da
  • ChemSpider ID78441128

  • 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

(1R,2E,6E,9E)-3,7,11,11-Tetramethyl-8-oxo-2,6,9-cycloundecatrien-1-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(1R,2E,6E,9E)-3,7,11,11-Tetramethyl-8-oxo-2,6,9-cycloundecatrien-1-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (1R,2E,6E,9E)-3,7,11,11-tétraméthyl-8-oxo-2,6,9-cycloundécatrién-1-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R,2E,6E,9E)-3,7,11,11-tetramethyl-8-oxo-2,6,9-cycloundecatrien-1-yl ester, (9Z)- [ACD/Index Name]
Mitissimol A oleate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 585.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 240.0±30.2 °C
Index of Refraction: 1.501
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 12.54
ACD/LogD (pH 5.5): 11.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 43 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 522.6±5.0 cm3

Click to predict properties on the Chemicalize site


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