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ChemSpider 2D Image | (4S,5S,5aS,9aS)-4-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl acetate | C17H24O5

(4S,5S,5aS,9aS)-4-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl acetate

  • Molecular FormulaC17H24O5
  • Average mass308.370 Da
  • Monoisotopic mass308.162384 Da
  • ChemSpider ID23314471
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4S,5S,5aS,9aS)-4-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl acetate [ACD/IUPAC Name]
(4S,5S,5aS,9aS)-4-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4S,5S,5aS,9aS)-4-hydroxy-6,6,9a-triméthyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-décahydronaphto[1,2-c]furan-5-yle [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-3(1H)-one, 5-(acetyloxy)-4,5,5a,6,7,8,9,9a-octahydro-4-hydroxy-6,6,9a-trimethyl-, (4S,5S,5aS,9aS)- [ACD/Index Name]
cinnamadin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 457.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 163.8±22.2 °C
Index of Refraction: 1.543
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.90
ACD/KOC (pH 5.5): 487.07
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.90
ACD/KOC (pH 7.4): 487.07
Polar Surface Area: 73 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 251.7±5.0 cm3

Click to predict properties on the Chemicalize site






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