ChemSpider 2D Image | Methyl {(4S,6S)-6-[(2R,3S,4S)-3-hydroxy-4-methyl-5-hexen-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl}acetate | C18H32O5

Methyl {(4S,6S)-6-[(2R,3S,4S)-3-hydroxy-4-methyl-5-hexen-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl}acetate

  • Molecular FormulaC18H32O5
  • Average mass328.444 Da
  • Monoisotopic mass328.224976 Da
  • ChemSpider ID30658815

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(4S,6S)-6-[(2R,3S,4S)-3-Hydroxy-4-méthyl-5-hexén-2-yl]-2,2,5,5-tétraméthyl-1,3-dioxan-4-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1,3-Dioxane-4-acetic acid, 6-[(1R,2S,3S)-2-hydroxy-1,3-dimethyl-4-penten-1-yl]-2,2,5,5-tetramethyl-, methyl ester, (4S,6S)- [ACD/Index Name]
Methyl {(4S,6S)-6-[(2R,3S,4S)-3-hydroxy-4-methyl-5-hexen-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl}acetate [ACD/IUPAC Name]
Methyl-{(4S,6S)-6-[(2R,3S,4S)-3-hydroxy-4-methyl-5-hexen-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 390.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.0±6.0 kJ/mol
Flash Point: 124.9±15.8 °C
Index of Refraction: 1.448
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.59
ACD/KOC (pH 5.5): 1278.24
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.59
ACD/KOC (pH 7.4): 1278.24
Polar Surface Area: 65 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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