Predicted properties of the compound entered.

ID QIZQGAMFMBOBKD-ALYQDHKLSA-N
Formula C26H38OS
IUPAC Name (2R)-2-[(1S,2S,3E,7E)-4,8-dimethyl-2-(phenylsulfanyl)cyclodeca-3,7-dien-1-yl]-6-methylhept-5-en-2-ol
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C26H38OS/c1-20(2)11-10-18-26(5,27)24-17-16-21(3)12-9-13-22(4)19-25(24)28-23-14-7-6-8-15-23/h6-8,11-12,14-15,19,24-25,27H,9-10,13,16-18H2,1-5H3/b21-12+,22-19+/t24-,25+,26-/m1/s1
Standard InChIKey (User Input) InChIKey=QIZQGAMFMBOBKD-ALYQDHKLSA-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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