ChemSpider 2D Image | 6-Chloro-5-(3,4-dimethyl-4-penten-1-yl)-7-hydroxy-5,8a-dimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde | C21H31ClO3

6-Chloro-5-(3,4-dimethyl-4-penten-1-yl)-7-hydroxy-5,8a-dimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde

  • Molecular FormulaC21H31ClO3
  • Average mass366.922 Da
  • Monoisotopic mass366.196167 Da
  • ChemSpider ID57641817

More details:






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

1,2-Naphthalenedicarboxaldehyde, 6-chloro-5-(3,4-dimethyl-4-penten-1-yl)-1,4,4a,5,6,7,8,8a-octahydro-7-hydroxy-5,8a-dimethyl- [ACD/Index Name]
6-Chlor-5-(3,4-dimethyl-4-penten-1-yl)-7-hydroxy-5,8a-dimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalindicarbaldehyd [German] [ACD/IUPAC Name]
6-Chloro-5-(3,4-diméthyl-4-pentén-1-yl)-7-hydroxy-5,8a-diméthyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphtalènedicarbaldéhyde [French] [ACD/IUPAC Name]
6-Chloro-5-(3,4-dimethyl-4-penten-1-yl)-7-hydroxy-5,8a-dimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde [ACD/IUPAC Name]
166774-52-3 [RN]
Hamiltonin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 246.1±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 101.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 784.41
ACD/KOC (pH 5.5): 4106.90
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 784.41
ACD/KOC (pH 7.4): 4106.90
Polar Surface Area: 54 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 331.3±5.0 cm3

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