Chemical Properties of Pregnenolone, TMS

InChI

InChI=1S/C27H48O2Si2/c1-19(28-30(4,5)6)23-12-13-24-22-11-10-20-18-21(29-31(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3/h10,21-22,24-25H,11-18H2,1-9H3/b23-19+/t21-,22?,24?,25?,26-,27+/m1/s1

InChI Key

MRKCDDOGBUPZDR-UUHRFSFUSA-N

Formula

C27H48O2Si2

SMILES

CC(O[Si](C)(C)C)=C1CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C

Molecular Weight¹

460.84

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Pregnenolone, 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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