ChemSpider 2D Image | (1a'R,2R,3a'R,7'Z,7a'S,10a'R)-7'-[(2E)-4-Hydroxy-4-methyl-2-penten-1-ylidene]-3'-methylenedecahydro-6'H-spiro[oxirane-2,10'-oxireno[6,7]cyclonona[1,2-c]pyran]-6'-one | C20H26O5

(1a'R,2R,3a'R,7'Z,7a'S,10a'R)-7'-[(2E)-4-Hydroxy-4-methyl-2-penten-1-ylidene]-3'-methylenedecahydro-6'H-spiro[oxirane-2,10'-oxireno[6,7]cyclonona[1,2-c]pyran]-6'-one

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID35516653

  • 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

(1a'R,2R,3a'R,7'Z,7a'S,10a'R)-7'-[(2E)-4-Hydroxy-4-methyl-2-penten-1-ylidene]-3'-methylenedecahydro-6'H-spiro[oxirane-2,10'-oxireno[6,7]cyclonona[1,2-c]pyran]-6'-one [ACD/IUPAC Name]
Spiro[oxirane-2,10'(6'H)-oxireno[6,7]cyclonona[1,2-c]pyran]-6'-one, decahydro-7'-[(2E)-4-hydroxy-4-methyl-2-penten-1-ylidene]-3'-methylene-, (1a'R,2R,3a'R,7'Z,7a'S,10a'R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 202.3±23.6 °C
Index of Refraction: 1.574
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.08
ACD/KOC (pH 5.5): 287.25
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.08
ACD/KOC (pH 7.4): 287.25
Polar Surface Area: 72 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 279.9±5.0 cm3

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