ChemSpider 2D Image | (1R,8S,9r)-Bicyclo[6.1.0]non-4-yn-9-ylmethyl 3,6,9,12-tetraoxapentadec-14-yn-1-ylcarbamate | C22H33NO6

(1R,8S,9r)-Bicyclo[6.1.0]non-4-yn-9-ylmethyl 3,6,9,12-tetraoxapentadec-14-yn-1-ylcarbamate

  • Molecular FormulaC22H33NO6
  • Average mass407.500 Da
  • Monoisotopic mass407.230774 Da
  • ChemSpider ID103835996

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,8S,9r)-Bicyclo[6.1.0]non-4-in-9-ylmethyl-3,6,9,12-tetraoxapentadec-14-in-1-ylcarbamat [German] [ACD/IUPAC Name]
(1R,8S,9r)-Bicyclo[6.1.0]non-4-yn-9-ylmethyl 3,6,9,12-tetraoxapentadec-14-yn-1-ylcarbamate [ACD/IUPAC Name]
3,6,9,12-Tétraoxapentadéc-14-yn-1-ylcarbamate de (1R,8S,9r)-bicyclo[6.1.0]non-4-yn-9-ylméthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-3,6,9,12-tetraoxapentadec-14-yn-1-yl-, (1R,8S)-bicyclo[6.1.0]non-4-yn-9-ylmethyl ester [ACD/Index Name]
[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
BCN-PEG4-alkyne
T17534

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.06
ACD/KOC (pH 5.5): 444.00
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.06
ACD/KOC (pH 7.4): 443.99
Polar Surface Area: 75 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 357.2±5.0 cm3

Click to predict properties on the Chemicalize site


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