Chemical Properties of Methoxyoestrone (enol)-TMS

InChI

InChI=1S/C25H40O3Si2/c1-25-16-15-18-17-11-13-22(27-29(3,4)5)24(26-2)20(17)10-9-19(18)21(25)12-14-23(25)28-30(6,7)8/h11,13-14,18-19,21H,9-10,12,15-16H2,1-8H3/t18?,19?,21?,25-/m1/s1

InChI Key

OUBUBDDLNRBPBN-AAANETGISA-N

Formula

C25H40O3Si2

SMILES

COc1c(O[Si](C)(C)C)ccc2c1CCC1C2CCC2(C)C(O[Si](C)(C)C)=CCC12

Molecular Weight¹

444.75

Other Names

• 4-Methoxyoestrone, TMS

• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	7.110		Crippen Calculated Property
Inp	[2634.00; 2687.00]
Inp	2687.00		NIST
Inp	2634.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Methoxyoestrone (enol)-TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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