ChemSpider 2D Image | 2-Methyl-2-propanyl 3,17-dihydroxyheptadecanoate | C21H42O4

2-Methyl-2-propanyl 3,17-dihydroxyheptadecanoate

  • Molecular FormulaC21H42O4
  • Average mass358.556 Da
  • Monoisotopic mass358.308319 Da
  • ChemSpider ID28577069

More details:

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

2-Methyl-2-propanyl 3,17-dihydroxyheptadecanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3,17-dihydroxyheptadecanoat [German] [ACD/IUPAC Name]
3,17-Dihydroxyheptadécanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, 3,17-dihydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
404868-09-3 [RN]
HEPTADECANOIC ACID, 3,17-DIHYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R)- [ACD/Index Name]
TERT-BUTYL 3,17-DIHYDROXYHEPTADECANOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 474.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 150.8±13.9 °C
Index of Refraction: 1.469
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3100.81
ACD/KOC (pH 5.5): 10984.81
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3100.81
ACD/KOC (pH 7.4): 10984.81
Polar Surface Area: 67 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 374.1±3.0 cm3

Click to predict properties on the Chemicalize site


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