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Predicted properties of the compound entered.

ID QKQNGVQPMJVLNJ-PSJNWGMYSA-N
Formula C20H32O2
IUPAC Name (2S,4aR,4bR,7S,8aR,8bR)-4a,4b-dimethyl-2,7-bis(propan-2-yl)-dodecahydrobiphenylene-1,8-dione
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C20H32O2/c1-11(2)13-7-9-19(5)15(17(13)21)16-18(22)14(12(3)4)8-10-20(16,19)6/h11-16H,7-10H2,1-6H3/t13-,14-,15-,16-,19+,20+/m0/s1
Standard InChIKey (User Input) InChIKey=QKQNGVQPMJVLNJ-PSJNWGMYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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