ChemSpider 2D Image | 2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethyl-3,7-cyclodecadien-1-yl]acrylate | C15H21O3

2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethyl-3,7-cyclodecadien-1-yl]acrylate

  • Molecular FormulaC15H21O3
  • Average mass249.326 Da
  • Monoisotopic mass249.149612 Da
  • ChemSpider ID128920874

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethyl-3,7-cyclodecadien-1-yl]acrylat [German] [ACD/IUPAC Name]
2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethyl-3,7-cyclodecadien-1-yl]acrylate [ACD/IUPAC Name]
2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-diméthyl-3,7-cyclodécadién-1-yl]acrylate [French] [ACD/IUPAC Name]
3,7-Cyclodecadiene-1-acetic acid, 2-hydroxy-4,8-dimethyl-α-methylene-, ion(1-), (1S,2R,3E,7E)- [ACD/Index Name]
6&α
6&α;-germacrene A acid
6&α;-hydroxy-germacra-1(10),4,11(13)-trien-12-oic acid

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

Density:
Boiling Point: 408.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 215.2±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 14.39
ACD/KOC (pH 5.5): 103.85
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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