ChemSpider 2D Image | (1R)-3-Methyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one | C21H24O3

(1R)-3-Methyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one

  • Molecular FormulaC21H24O3
  • Average mass324.414 Da
  • Monoisotopic mass324.172546 Da
  • ChemSpider ID21857937

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-3-Methyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,8'-[8H]cyclopenta[d]benzo[1,2-b:5,4-b']dipyran]-4'(1'H)-one, 2',3',9',10'-tetrahydro-3-methyl-, (1R)- [ACD/Index Name]
1217534-72-9 [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: 512.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 222.4±24.7 °C
    Index of Refraction: 1.611
    Molar Refractivity: 91.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 6.16
    ACD/LogD (pH 5.5): 5.90
    ACD/BCF (pH 5.5): 17927.90
    ACD/KOC (pH 5.5): 38571.20
    ACD/LogD (pH 7.4): 5.90
    ACD/BCF (pH 7.4): 17927.90
    ACD/KOC (pH 7.4): 38571.20
    Polar Surface Area: 36 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 51.2±5.0 dyne/cm
    Molar Volume: 262.3±5.0 cm3

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