ChemSpider 2D Image | (3aS,6S,6aS)-6-[(Benzyloxy)methyl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferred name) | C15H18O5

(3aS,6S,6aS)-6-[(Benzyloxy)methyl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferred name)

  • Molecular FormulaC15H18O5
  • Average mass278.300 Da
  • Monoisotopic mass278.115417 Da
  • ChemSpider ID107443854

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,6S,6aS)-6-[(Benzyloxy)methyl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-on (non-preferred name) [German] [ACD/IUPAC Name]
(3aS,6S,6aS)-6-[(Benzyloxy)methyl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferred name) [ACD/IUPAC Name]
(3aS,6S,6aS)-6-[(Benzyloxy)méthyl]-2,2-diméthyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferred name) [French] [ACD/IUPAC Name]
85846-80-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 405.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 179.6±28.8 °C
Index of Refraction: 1.514
Molar Refractivity: 70.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.32
ACD/KOC (pH 5.5): 428.10
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.32
ACD/KOC (pH 7.4): 428.10
Polar Surface Area: 54 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

Click to predict properties on the Chemicalize site


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