ChemSpider 2D Image | 2-Methyl-2-propanyl (2R,5S)-2-(iodomethyl)-1,7-dioxa-10-azaspiro[4.6]undecane-10-carboxylate | C14H24INO4

2-Methyl-2-propanyl (2R,5S)-2-(iodomethyl)-1,7-dioxa-10-azaspiro[4.6]undecane-10-carboxylate

  • Molecular FormulaC14H24INO4
  • Average mass397.249 Da
  • Monoisotopic mass397.074982 Da
  • ChemSpider ID81424224

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5S)-2-(Iodométhyl)-1,7-dioxa-10-azaspiro[4.6]undécane-10-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,7-Dioxa-10-azaspiro[4.6]undecane-10-carboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester, (2R,5S)- [ACD/Index Name]
2-Methyl-2-propanyl (2R,5S)-2-(iodomethyl)-1,7-dioxa-10-azaspiro[4.6]undecane-10-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R,5S)-2-(iodmethyl)-1,7-dioxa-10-azaspiro[4.6]undecan-10-carboxylat [German] [ACD/IUPAC Name]
2177258-10-3 [RN]
MFCD28119041
RACEMIC-(2R,5R)-TERT-BUTYL 2-(IODOMETHYL)-1,7-DIOXA-10-AZASPIRO[4.6]UNDECANE-10-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 440.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.0±28.7 °C
Index of Refraction: 1.553
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.26
ACD/KOC (pH 5.5): 558.10
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.26
ACD/KOC (pH 7.4): 558.10
Polar Surface Area: 48 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

Click to predict properties on the Chemicalize site


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