ChemSpider 2D Image | (4E,8Z)-12-Hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate | C22H32O5

(4E,8Z)-12-Hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID28499129

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,8Z)-12-Hydroxy-4,8,12-trimethyl-16-methylen-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl-acetat [German] [ACD/IUPAC Name]
(4E,8Z)-12-Hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate [ACD/IUPAC Name]
14-Oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16-methylene-, (4E,8Z)- [ACD/Index Name]
Acétate de (4E,8Z)-12-hydroxy-4,8,12-triméthyl-16-méthylène-15-oxo-14-oxabicyclo[11.3.1]heptadéca-4,8-dién-2-yle [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16- methylene-, [1S-(1R*,2R*,4Z,8Z,12S*,13R*)]-
14-Oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16-methylene-, [1S(1R*,2R*,4Z,8Z,12S*,13R*)]-
28028-68-4 [RN]
crassin acetate
CRASSIN, ACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 175.9±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: 4.73
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 883.51
ACD/KOC (pH 5.5): 4471.97
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 883.51
ACD/KOC (pH 7.4): 4471.97
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

Click to predict properties on the Chemicalize site


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