ChemSpider 2D Image | (3S,6R)-2,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-one | C10H16O2

(3S,6R)-2,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-one

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID57464905

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6R)-2,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-on [German] [ACD/IUPAC Name]
(3S,6R)-2,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-one [ACD/IUPAC Name]
(3S,6R)-2,2,6-Triméthyl-1-oxaspiro[2.5]octan-4-one [French] [ACD/IUPAC Name]
1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, (3S,6R)- [ACD/Index Name]
13080-28-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 245.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 98.0±16.2 °C
Index of Refraction: 1.484
Molar Refractivity: 46.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 152.03
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.84
ACD/KOC (pH 7.4): 152.03
Polar Surface Area: 30 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 33.3±5.0 dyne/cm
Molar Volume: 161.3±5.0 cm3

Click to predict properties on the Chemicalize site


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