ChemSpider 2D Image | (1aR,4aR,6R,7S,7aR,7bR)-7-Hydroxy-1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-6-yl acetate | C17H26O3

(1aR,4aR,6R,7S,7aR,7bR)-7-Hydroxy-1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-6-yl acetate

  • Molecular FormulaC17H26O3
  • Average mass278.387 Da
  • Monoisotopic mass278.188202 Da
  • ChemSpider ID24716544

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aR,4aR,6R,7S,7aR,7bR)-7-Hydroxy-1,1,7-trimethyl-4-methylendecahydro-1H-cyclopropa[e]azulen-6-yl-acetat [German] [ACD/IUPAC Name]
(1aR,4aR,6R,7S,7aR,7bR)-7-Hydroxy-1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-6-yl acetate [ACD/IUPAC Name]
1H-Cycloprop[e]azulene-6,7-diol, decahydro-1,1,7-trimethyl-4-methylene-, 6-acetate, (1aR,4aR,6R,7S,7aR,7bR)- [ACD/Index Name]
Acétate de (1aR,4aR,6R,7S,7aR,7bR)-7-hydroxy-1,1,7-triméthyl-4-méthylènedécahydro-1H-cyclopropa[e]azulén-6-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517513/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 347.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 133.4±18.7 °C
Index of Refraction: 1.527
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.42
ACD/KOC (pH 5.5): 2178.17
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.42
ACD/KOC (pH 7.4): 2178.17
Polar Surface Area: 47 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 252.0±5.0 cm3

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