Found 3 results

Search term: GKMOPTRWSULEDH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,3S,6S)-1-(Hydroxymethyl)-5-methoxy-6-methyl-6-(2-methyl-2-propanyl)-7-oxa-4-azaspiro[2.5]oct-4-en-8-one | C13H21NO4

(1S,3S,6S)-1-(Hydroxymethyl)-5-methoxy-6-methyl-6-(2-methyl-2-propanyl)-7-oxa-4-azaspiro[2.5]oct-4-en-8-one

  • Molecular FormulaC13H21NO4
  • Average mass255.310 Da
  • Monoisotopic mass255.147064 Da
  • ChemSpider ID21107484

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,6S)-1-(Hydroxymethyl)-5-methoxy-6-methyl-6-(2-methyl-2-propanyl)-7-oxa-4-azaspiro[2.5]oct-4-en-8-on [German] [ACD/IUPAC Name]
(1S,3S,6S)-1-(Hydroxymethyl)-5-methoxy-6-methyl-6-(2-methyl-2-propanyl)-7-oxa-4-azaspiro[2.5]oct-4-en-8-one [ACD/IUPAC Name]
(1S,3S,6S)-1-(Hydroxyméthyl)-5-méthoxy-6-méthyl-6-(2-méthyl-2-propanyl)-7-oxa-4-azaspiro[2.5]oct-4-én-8-one [French] [ACD/IUPAC Name]
7-Oxa-4-azaspiro[2.5]oct-4-en-8-one, 6-(1,1-dimethylethyl)-1-(hydroxymethyl)-5-methoxy-6-methyl-, (1S,3S,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 196.2±24.6 °C
Index of Refraction: 1.540
Molar Refractivity: 65.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 41.53
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 41.60
Polar Surface Area: 68 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 208.9±7.0 cm3

Click to predict properties on the Chemicalize site


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