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Search term: YRCNWELISZHWJT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[(7S)-2,2,6-Trimethyl-7-(methylsulfinyl)-3a,6,7,8,8a,8b-hexahydro[1,3]dioxolo[4,5-b][1]benzofuran-7-yl]-1-hexanol | C19H32O5S

1-[(7S)-2,2,6-Trimethyl-7-(methylsulfinyl)-3a,6,7,8,8a,8b-hexahydro[1,3]dioxolo[4,5-b][1]benzofuran-7-yl]-1-hexanol

  • Molecular FormulaC19H32O5S
  • Average mass372.519 Da
  • Monoisotopic mass372.197052 Da
  • ChemSpider ID30650175

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

1,3-Dioxolo[4,5-b]benzofuran-7-methanol, 3a,6,7,8,8a,8b-hexahydro-2,2,6-trimethyl-7-(methylsulfinyl)-α-pentyl-, (7S)- [ACD/Index Name]
1-[(7S)-2,2,6-Trimethyl-7-(methylsulfinyl)-3a,6,7,8,8a,8b-hexahydro[1,3]dioxolo[4,5-b][1]benzofuran-7-yl]-1-hexanol [German] [ACD/IUPAC Name]
1-[(7S)-2,2,6-Trimethyl-7-(methylsulfinyl)-3a,6,7,8,8a,8b-hexahydro[1,3]dioxolo[4,5-b][1]benzofuran-7-yl]-1-hexanol [ACD/IUPAC Name]
1-[(7S)-2,2,6-Triméthyl-7-(méthylsulfinyl)-3a,6,7,8,8a,8b-hexahydro[1,3]dioxolo[4,5-b][1]benzofuran-7-yl]-1-hexanol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 278.3±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.24
ACD/KOC (pH 5.5): 730.10
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.24
ACD/KOC (pH 7.4): 730.10
Polar Surface Area: 84 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 307.8±5.0 cm3

Click to predict properties on the Chemicalize site


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