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Predicted properties of the compound entered.

ID ABSCYWMYRVUUIC-BIIVOSGPSA-N
Formula C10H16O
IUPAC Name (1R,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
Standard InChIKey (User Input) InChIKey=ABSCYWMYRVUUIC-BIIVOSGPSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptan-4-one | (1R,4S,6S)-4,7,7-trimethylnorcaran-3-one | (1R,4S,6S)-4,7,7-trimethyl-3-norcaranone | 4176-04-9 | EINECS 224-043-1 | (1R-(1alpha,4alpha,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one
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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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