Chemical Properties of Androst-4-en-3-one, 17-[(trimethylsilyl)oxy]-, O-methyloxime, (17«beta»)- (CAS 56210-83-4)

InChI

InChI=1S/C23H39NO2Si/c1-22-13-11-17(24-25-3)15-16(22)7-8-18-19-9-10-21(26-27(4,5)6)23(19,2)14-12-20(18)22/h15,18-21H,7-14H2,1-6H3/t18?,19?,20?,21-,22?,23?/m1/s1

InChI Key

SFXUCUOVEDBETC-KNFABSGCSA-N

Formula

C23H39NO2Si

SMILES

CON=C1C=C2CCC3C(CCC4(C)C(O[Si](C)(C)C)CCC34)C2(C)CC1

Molecular Weight¹

389.65

CAS

56210-83-4

Other Names

• 17-[(Trimethylsilyl)oxy]androst-4-en-3-one o-methyloxime, (17«beta»)-
• Testosterone, O-methyloxime, TMS
• Testosterone, 3-MO-TMS
• Testosterone, 3-MO, 17-TMS
• Testosterone, 3-methyloxime, TMS
• Testosterone, MO-TMS
• «alpha»-Testosterone, TMS
• «beta»-Testosterone, MO-TMS
• Testosterone o-methyloxime, tms derivative

• 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	0.6100		Relay (... Calculated Property
ΔfG°	192.11	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-432.81	kJ/mol	Relay (... Calculated Property
ΔvapH°	99.78	kJ/mol	Relay (... Calculated Property
IE	8.33	eV	Relay (... Calculated Property
log10WS	-5.26		Relay (... Calculated Property
logPoct/wat	6.172		Crippen Calculated Property
Pc	595.46	kPa	Relay (... Calculated Property ⚠️
Inp	[2634.00; 2712.00]
Inp	2634.00		NIST
Inp	2649.00		NIST
Inp	2670.00		NIST
Inp	2696.00		NIST
Inp	2712.00		NIST
Tboil	654.76	K	Relay (... Calculated Property
Tc	912.78	K	Relay (... Calculated Property
Tfus	379.32	K	Relay (... Calculated Property
Vc	1.197	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Androst-4-en-3-one, 17-[(trimethylsilyl)oxy]-, O-methyloxime, (17«beta»)-.

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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