ChemSpider 2D Image | 2-Isopropyl-5',7'-bis[(2-methoxyethoxy)methoxy]-5,7b'-dimethylhexahydrospiro[cyclohexane-1,2'-cyclopenta[3,4]cyclobuta[1,2-d][1,3]dioxin]-4'(4a'H)-one | C27H46O9

2-Isopropyl-5',7'-bis[(2-methoxyethoxy)methoxy]-5,7b'-dimethylhexahydrospiro[cyclohexane-1,2'-cyclopenta[3,4]cyclobuta[1,2-d][1,3]dioxin]-4'(4a'H)-one

  • Molecular FormulaC27H46O9
  • Average mass514.649 Da
  • Monoisotopic mass514.314209 Da
  • ChemSpider ID487376

More details:

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

2-Isopropyl-5',7'-bis[(2-methoxyethoxy)methoxy]-5,7b'-dimethylhexahydrospiro[cyclohexane-1,2'-cyclopenta[3,4]cyclobuta[1,2-d][1,3]dioxin]-4'(4a'H)-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,2'-cyclopenta[3,4]cyclobuta[1,2-d][1,3]dioxin]-4'(5'H)-one, hexahydro-5',7'-bis[(2-methoxyethoxy)methoxy]-5,7'b-dimethyl-2-(1-methylethyl)- [ACD/Index Name]
Spiro[3,5-dioxatricyclo[6.3.0.0(2,7)]undecan-6-one-4,2'-cyclohexane], 1'-isopropyl-2,4'-dimethyl-9,11-bis(2-methoxyethoxymethoxy)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 243.8±30.2 °C
Index of Refraction: 1.507
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.97
ACD/KOC (pH 5.5): 675.22
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.97
ACD/KOC (pH 7.4): 675.22
Polar Surface Area: 91 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 446.3±5.0 cm3

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