ChemSpider 2D Image | (1alpha,4aalpha,4bbeta,10beta)-10-Formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid | C20H28O3

(1α,4aα,4bβ,10β)-10-Formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID57578279
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(1α,4aα,4bβ,10β)-10-Formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid [ACD/IUPAC Name]
(1α,4aα,4bβ,10β)-10-Formyl-1,4a-dimethyl-8-methylengibban-1-carbonsäure [German] [ACD/IUPAC Name]
Acide (1α,4aα,4bβ,10β)-10-formyl-1,4a-diméthyl-8-méthylènegibbane-1-carboxylique [French] [ACD/IUPAC Name]
Gibbane-1-carboxylic acid, 10-formyl-1,4a-dimethyl-8-methylene-, (1α,4aα,4bβ,10β)- [ACD/Index Name]
19436-07-8 [RN]
gibberellin A12-7-aldehyde

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 242.9±25.2 °C
Index of Refraction: 1.558
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 62.30
ACD/KOC (pH 5.5): 345.74
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.44
Polar Surface Area: 54 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 272.6±5.0 cm3

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