Chemical Properties of Pregn-4-ene-3,20-dione, 6-methyl-17-[(trimethylsilyl)oxy]-, bis(O-methyloxime), (6«alpha»)- (CAS 69833-56-3)

InChI

InChI=1S/C27H46N2O3Si/c1-18-16-21-22(25(3)13-10-20(29-31-6)17-24(18)25)11-14-26(4)23(21)12-15-27(26,19(2)28-30-5)32-33(7,8)9/h17-18,21-23H,10-16H2,1-9H3/t18?,21-,22+,23+,25-,26+,27+/m0/s1

InChI Key

ZTZGORUGVYGHSD-GCBZSIETSA-N

Formula

C27H46N2O3Si

SMILES

CON=C1C=C2C(C)CC3C(CCC4(C)C3CCC4(O[Si](C)(C)C)C(C)=NOC)C2(C)CC1

Molecular Weight¹

474.75

CAS

69833-56-3

Other Names

• 6«alpha»-Methyl-17-hydroxyprogesterone, MO-TMS

• 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

Property	Value	Unit	Source
ω	0.7418		Relay (... Calculated Property
ΔfG°	237.44	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-474.28	kJ/mol	Relay (... Calculated Property
ΔvapH°	115.38	kJ/mol	Relay (... Calculated Property
IE	7.86	eV	Relay (... Calculated Property
log10WS	-5.37		Relay (... Calculated Property
logPoct/wat	6.810		Crippen Calculated Property
Pc	210.71	kPa	Relay (... Calculated Property ⚠️
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	680.89	K	Relay (... Calculated Property
Tc	950.78	K	Relay (... Calculated Property
Tfus	400.31	K	Relay (... Calculated Property
Vc	1.431	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pregn-4-ene-3,20-dione, 6-methyl-17-[(trimethylsilyl)oxy]-, bis(O-methyloxime), (6«alpha»)-.

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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