Found 5 results

Search term: MF = 'C_{12}H_{19}D_{3}O'
ChemSpider 2D Image | (2S,5S)-2-Methyl-2-(~2~H_3_)methyl-5-(2-methyl-2-propanyl)cyclohexanone | C12H19D3O

(2S,5S)-2-Methyl-2-(2H3)methyl-5-(2-methyl-2-propanyl)cyclohexanone

  • Molecular FormulaC12H19D3O
  • Average mass185.321 Da
  • Monoisotopic mass185.185898 Da
  • ChemSpider ID74039042

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,5S)-2-Methyl-2-(2H3)methyl-5-(2-methyl-2-propanyl)cyclohexanon [German] [ACD/IUPAC Name]
(2S,5S)-2-Methyl-2-(2H3)methyl-5-(2-methyl-2-propanyl)cyclohexanone [ACD/IUPAC Name]
(2S,5S)-2-Méthyl-2-(2H3)méthyl-5-(2-méthyl-2-propanyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 5-(1,1-dimethylethyl)-2-methyl-2-(methyl-d3)-, (2S,5S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 234.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 88.5±10.7 °C
Index of Refraction: 1.446
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 370.14
ACD/KOC (pH 5.5): 2399.05
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.14
ACD/KOC (pH 7.4): 2399.05
Polar Surface Area: 17 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 207.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement