ChemSpider 2D Image | 6-Chloro-4-(1,3-dihydroxy-2-propanyl)-5-hydroxy-2,2,7-trimethyl-1-indanone | C15H19ClO4

6-Chloro-4-(1,3-dihydroxy-2-propanyl)-5-hydroxy-2,2,7-trimethyl-1-indanone

  • Molecular FormulaC15H19ClO4
  • Average mass298.762 Da
  • Monoisotopic mass298.097198 Da
  • ChemSpider ID78436073

More details:

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

1H-Inden-1-one, 6-chloro-2,3-dihydro-5-hydroxy-4-[2-hydroxy-1-(hydroxymethyl)ethyl]-2,2,7-trimethyl- [ACD/Index Name]
6-Chlor-4-(1,3-dihydroxy-2-propanyl)-5-hydroxy-2,2,7-trimethyl-1-indanon [German] [ACD/IUPAC Name]
6-Chloro-4-(1,3-dihydroxy-2-propanyl)-5-hydroxy-2,2,7-trimethyl-1-indanone [ACD/IUPAC Name]
6-Chloro-4-(1,3-dihydroxy-2-propanyl)-5-hydroxy-2,2,7-triméthyl-1-indanone [French] [ACD/IUPAC Name]
Lepistatin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 266.6±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.06
ACD/KOC (pH 5.5): 462.88
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 6.84
ACD/KOC (pH 7.4): 83.25
Polar Surface Area: 78 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 225.2±3.0 cm3

Click to predict properties on the Chemicalize site


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