ChemSpider 2D Image | 7-Chloro-6-(3,4-dimethyl-4-penten-1-yl)-8-hydroxy-6,9a-dimethyl-3,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1,4-dione | C21H29ClO4

7-Chloro-6-(3,4-dimethyl-4-penten-1-yl)-8-hydroxy-6,9a-dimethyl-3,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1,4-dione

  • Molecular FormulaC21H29ClO4
  • Average mass380.906 Da
  • Monoisotopic mass380.175446 Da
  • ChemSpider ID57641818

More details:






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

7-Chlor-6-(3,4-dimethyl-4-penten-1-yl)-8-hydroxy-6,9a-dimethyl-3,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1,4-dion [German] [ACD/IUPAC Name]
7-Chloro-6-(3,4-dimethyl-4-penten-1-yl)-8-hydroxy-6,9a-dimethyl-3,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1,4-dione [ACD/IUPAC Name]
7-Chloro-6-(3,4-diméthyl-4-pentén-1-yl)-8-hydroxy-6,9a-diméthyl-3,5,5a,6,7,8,9,9a-octahydronaphto[1,2-c]furane-1,4-dione [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-1,4-dione, 7-chloro-6-(3,4-dimethyl-4-penten-1-yl)-3,5,5a,6,7,8,9,9a-octahydro-8-hydroxy-6,9a-dimethyl- [ACD/Index Name]
166774-53-4 [RN]
Hamiltonin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 279.2±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 181.10
ACD/KOC (pH 5.5): 1438.25
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 181.10
ACD/KOC (pH 7.4): 1438.25
Polar Surface Area: 64 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

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