ChemSpider 2D Image | {3-(3-Methyl-2-buten-1-yl)-1-[2-(methylsulfonyl)ethyl]-3-piperidinyl}methanol | C14H27NO3S

{3-(3-Methyl-2-buten-1-yl)-1-[2-(methylsulfonyl)ethyl]-3-piperidinyl}methanol

  • Molecular FormulaC14H27NO3S
  • Average mass289.434 Da
  • Monoisotopic mass289.171173 Da
  • ChemSpider ID29718932

More details:

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

{3-(3-Methyl-2-buten-1-yl)-1-[2-(methylsulfonyl)ethyl]-3-piperidinyl}methanol [German] [ACD/IUPAC Name]
{3-(3-Methyl-2-buten-1-yl)-1-[2-(methylsulfonyl)ethyl]-3-piperidinyl}methanol [ACD/IUPAC Name]
{3-(3-Méthyl-2-butén-1-yl)-1-[2-(méthylsulfonyl)éthyl]-3-pipéridinyl}méthanol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 3-(3-methyl-2-buten-1-yl)-1-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
[1-(2-METHANESULFONYLETHYL)-3-(3-METHYLBUT-2-EN-1-YL)PIPERIDIN-3-YL]METHANOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 217.4±23.2 °C
Index of Refraction: 1.495
Molar Refractivity: 78.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 99.59
Polar Surface Area: 66 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 270.1±3.0 cm3

Click to predict properties on the Chemicalize site


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