ChemSpider 2D Image | Methyl (2E,6E)-9-[(2S)-3,3-dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate | C16H26O3

Methyl (2E,6E)-9-[(2S)-3,3-dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate

  • Molecular FormulaC16H26O3
  • Average mass266.376 Da
  • Monoisotopic mass266.188202 Da
  • ChemSpider ID57643519

  • 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

(2E,6E)-9-[(2S)-3,3-Diméthyl-2-oxiranyl]-3,7-diméthyl-2,6-nonadiénoate de méthyle [French] [ACD/IUPAC Name]
2,6-Nonadienoic acid, 9-[(2S)-3,3-dimethyloxiranyl]-3,7-dimethyl-, methyl ester, (2E,6E)- [ACD/Index Name]
Methyl (2E,6E)-9-[(2S)-3,3-dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate [ACD/IUPAC Name]
Methyl-(2E,6E)-9-[(2S)-3,3-dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoat [German] [ACD/IUPAC Name]
methyl (2e,6e,10s)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 348.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 144.9±17.8 °C
Index of Refraction: 1.473
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 574.04
ACD/KOC (pH 5.5): 3284.39
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 574.04
ACD/KOC (pH 7.4): 3284.39
Polar Surface Area: 39 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

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