ChemSpider 2D Image | 4-Hydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl (chloroacetyl)carbamate | C19H30ClNO6

4-Hydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl (chloroacetyl)carbamate

  • Molecular FormulaC19H30ClNO6
  • Average mass403.898 Da
  • Monoisotopic mass403.176178 Da
  • ChemSpider ID26329121

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1r,2s,3s,4r)-4-Hydroxy-2-Methoxy-4-Methyl-3-[(2r,3r)-2-Methyl-3-(3-Methylbut-2-En-1-Yl)oxiran-2-Yl]cyclohexyl (Chloroacetyl)carbamate
(2-Chloroacétyl)carbamate de 4-hydroxy-2-méthoxy-4-méthyl-3-[2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]cyclohexyle [French] [ACD/IUPAC Name]
4-Hydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl (chloroacetyl)carbamate [ACD/IUPAC Name]
4-Hydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl-(chloracetyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-chloroacetyl)-, 4-hydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]cyclohexyl ester [ACD/Index Name]
TN4

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.527
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.62
ACD/KOC (pH 5.5): 533.39
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 19.45
ACD/KOC (pH 7.4): 227.39
Polar Surface Area: 97 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

Click to predict properties on the Chemicalize site


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