ChemSpider 2D Image | 7-Chloro-6-(3,4-dimethyl-4-penten-1-yl)-8-hydroxy-6,9a-dimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(3H)-one | C21H31ClO3

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

  • Molecular FormulaC21H31ClO3
  • Average mass366.922 Da
  • Monoisotopic mass366.196167 Da
  • ChemSpider ID57641815

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-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(3H)-on [German] [ACD/IUPAC Name]
7-Chloro-6-(3,4-dimethyl-4-penten-1-yl)-8-hydroxy-6,9a-dimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(3H)-one [ACD/IUPAC Name]
7-Chloro-6-(3,4-diméthyl-4-pentén-1-yl)-8-hydroxy-6,9a-diméthyl-5,5a,6,7,8,9,9a,9b-octahydronaphto[1,2-c]furan-1(3H)-one [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-1(3H)-one, 7-chloro-6-(3,4-dimethyl-4-penten-1-yl)-5,5a,6,7,8,9,9a,9b-octahydro-8-hydroxy-6,9a-dimethyl- [ACD/Index Name]
166774-50-1 [RN]
Hamiltonin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 260.5±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1393.12
ACD/KOC (pH 5.5): 6195.34
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1393.12
ACD/KOC (pH 7.4): 6195.34
Polar Surface Area: 47 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 321.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement