ChemSpider 2D Image | (1R,3S,4Z,11S,12R)-3-Hydroxy-4,8,12-trimethyl-15-methylene-14-oxo-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-11-yl acetate | C22H32O5

(1R,3S,4Z,11S,12R)-3-Hydroxy-4,8,12-trimethyl-15-methylene-14-oxo-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-11-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID40256866

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,4Z,11S,12R)-3-Hydroxy-4,8,12-trimethyl-15-methylen-14-oxo-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-11-yl-acetat [German] [ACD/IUPAC Name]
(1R,3S,4Z,11S,12R)-3-Hydroxy-4,8,12-trimethyl-15-methylene-14-oxo-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-11-yl acetate [ACD/IUPAC Name]
13-Oxabicyclo[10.3.2]heptadeca-4,7-dien-14-one, 11-(acetyloxy)-3-hydroxy-4,8,12-trimethyl-15-methylene-, (1R,3S,4Z,11S,12R)- [ACD/Index Name]
Acétate de (1R,3S,4Z,11S,12R)-3-hydroxy-4,8,12-triméthyl-15-méthylène-14-oxo-13-oxabicyclo[10.3.2]heptadéca-4,7-dién-11-yle [French] [ACD/IUPAC 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: 524.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 175.6±23.6 °C
Index of Refraction: 1.524
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 681.97
ACD/KOC (pH 5.5): 3715.44
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 681.97
ACD/KOC (pH 7.4): 3715.44
Polar Surface Area: 73 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 339.5±5.0 cm3

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