Found 2 results

Search term: SEPSZVPSJFODMG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5S,8R)-5-Butyl-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.0~2,7~]undec-6-en-4-one | C16H25NO2

(5S,8R)-5-Butyl-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-4-one

  • Molecular FormulaC16H25NO2
  • Average mass263.375 Da
  • Monoisotopic mass263.188538 Da
  • ChemSpider ID30651064

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5S,8R)-5-Butyl-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-4-on [German] [ACD/IUPAC Name]
(5S,8R)-5-Butyl-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-4-one [ACD/IUPAC Name]
(5S,8R)-5-Butyl-8,11,11-triméthyl-3-oxa-6-azatricyclo[6.2.1.02,7]undéc-6-én-4-one [French] [ACD/IUPAC Name]
5,8-Methano-2H-1,4-benzoxazin-2-one, 3-butyl-3,5,6,7,8,8a-hexahydro-5,9,9-trimethyl-, (3S,5R)- [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: 379.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 152.4±19.3 °C
Index of Refraction: 1.589
Molar Refractivity: 74.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 747.48
ACD/KOC (pH 5.5): 3925.71
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 775.54
ACD/KOC (pH 7.4): 4073.05
Polar Surface Area: 39 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 220.4±7.0 cm3

Click to predict properties on the Chemicalize site


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