ChemSpider 2D Image | (3R)-3-[(2R)-1-(Benzyloxy)-3-buten-2-yl]-6,10-dithiaspiro[4.5]decan-1-one | C19H24O2S2

(3R)-3-[(2R)-1-(Benzyloxy)-3-buten-2-yl]-6,10-dithiaspiro[4.5]decan-1-one

  • Molecular FormulaC19H24O2S2
  • Average mass348.523 Da
  • Monoisotopic mass348.121765 Da
  • ChemSpider ID74040754
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R)-3-[(2R)-1-(Benzyloxy)-3-buten-2-yl]-6,10-dithiaspiro[4.5]decan-1-on [German] [ACD/IUPAC Name]
(3R)-3-[(2R)-1-(Benzyloxy)-3-buten-2-yl]-6,10-dithiaspiro[4.5]decan-1-one [ACD/IUPAC Name]
(3R)-3-[(2R)-1-(Benzyloxy)-3-butén-2-yl]-6,10-dithiaspiro[4.5]décan-1-one [French] [ACD/IUPAC Name]
6,10-Dithiaspiro[4.5]decan-1-one, 3-[(1R)-1-[(phenylmethoxy)methyl]-2-propen-1-yl]-, (3R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 229.5±16.7 °C
Index of Refraction: 1.601
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 621.26
ACD/KOC (pH 5.5): 3475.58
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 621.26
ACD/KOC (pH 7.4): 3475.58
Polar Surface Area: 77 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 293.3±5.0 cm3

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