ChemSpider 2D Image | (3S,4S)-3-Decyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxetanone | C23H36O4

(3S,4S)-3-Decyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxetanone

  • Molecular FormulaC23H36O4
  • Average mass376.530 Da
  • Monoisotopic mass376.261353 Da
  • ChemSpider ID24603924
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4S)-3-Decyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxetanon [German] [ACD/IUPAC Name]
(3S,4S)-3-Decyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxetanone [ACD/IUPAC Name]
(3S,4S)-3-Décyl-4-[2-(3,4-diméthoxyphényl)éthyl]-2-oxêtanone [French] [ACD/IUPAC Name]
2-Oxetanone, 3-decyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-, (3S,4S)- [ACD/Index Name]
(3S,4S)-3-decyl-4-(3,4-dimethoxyphenethyl)oxetan-2-one
1233365-12-2 [RN]
Palmostatin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 488.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 208.9±23.2 °C
Index of Refraction: 1.495
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 163950.27
ACD/KOC (pH 5.5): 188047.55
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 163950.27
ACD/KOC (pH 7.4): 188047.55
Polar Surface Area: 45 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

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