ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,4R)-1-hydroxy-4-(hydroxymethyl)-6-hepten-2-yl]carbamate | C13H25NO4

2-Methyl-2-propanyl [(2S,4R)-1-hydroxy-4-(hydroxymethyl)-6-hepten-2-yl]carbamate

  • Molecular FormulaC13H25NO4
  • Average mass259.342 Da
  • Monoisotopic mass259.178345 Da
  • ChemSpider ID28600439

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,4R)-1-Hydroxy-4-(hydroxyméthyl)-6-heptén-2-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,4R)-1-hydroxy-4-(hydroxymethyl)-6-hepten-2-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,4R)-1-hydroxy-4-(hydroxymethyl)-6-hepten-2-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,3R)-1,3-bis(hydroxymethyl)-5-hexen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
942144-12-9 [RN]
tert-Butyl ((2S,4R)-1-hydroxy-4-(hydroxymethyl)hept-6-en-2-yl)carbamate
tert-Butyl [(2S,4R)-1-hydroxy-4-(hydroxymethyl)hept-6-en-2-yl]carbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 211.1±28.7 °C
Index of Refraction: 1.483
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.26
ACD/KOC (pH 5.5): 171.26
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.26
ACD/KOC (pH 7.4): 171.25
Polar Surface Area: 79 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 246.3±3.0 cm3

Click to predict properties on the Chemicalize site


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