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Predicted properties of the compound entered.

ID ABROONXHDZLWSU-YGDRIEADSA-N
Formula C27H38O3
IUPAC Name (1S,2S,10R,12S)-13,13-dimethyl-11-methylidene-6-(2-methyloctan-2-yl)-9-oxatetracyclo[10.1.1.0^{2,10}.0^{3,8}]tetradeca-3(8),4,6-trien-4-yl acetate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C27H38O3/c1-8-9-10-11-12-26(4,5)18-13-21(29-17(3)28)24-22(14-18)30-25-16(2)19-15-20(23(24)25)27(19,6)7/h13-14,19-20,23,25H,2,8-12,15H2,1,3-7H3/t19-,20+,23+,25+/m1/s1
Standard InChIKey (User Input) InChIKey=ABROONXHDZLWSU-YGDRIEADSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Mol-Instincts Database
 
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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