ChemSpider 2D Image | (3a'R,6'S,6a'R)-6'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]dihydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'(3a'H)-one (non-preferred name) | C18H26O6

(3a'R,6'S,6a'R)-6'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]dihydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'(3a'H)-one (non-preferred name)

  • Molecular FormulaC18H26O6
  • Average mass338.395 Da
  • Monoisotopic mass338.172943 Da
  • ChemSpider ID57372922

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3a'R,6'S,6a'R)-6'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]dihydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'(3a'H)-one (non-preferred name) [ACD/IUPAC Name]
(3a'R,6'S,6a'R)-6'-((R)-1,4-Dioxaspiro[4.5]decan-2-yl)dihydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'(3a'H)-one
119680-72-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 225.8±30.2 °C
Index of Refraction: 1.554
Molar Refractivity: 83.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.31
ACD/KOC (pH 5.5): 715.73
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.31
ACD/KOC (pH 7.4): 715.73
Polar Surface Area: 63 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 261.9±5.0 cm3

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