Chemical Properties of 17«alpha»-Methyl-6«beta»,17«beta»-dihydroxy-1,4-androstadien-3-one, bis(trimethylsilyl) (CAS 67896-65-5)

InChI

InChI=1S/C26H44O3Si2/c1-24-13-10-18(27)16-22(24)23(28-30(4,5)6)17-19-20(24)11-14-25(2)21(19)12-15-26(25,3)29-31(7,8)9/h10,13,16,19-21,23H,11-12,14-15,17H2,1-9H3

InChI Key

RAKGZQRFODNUHY-UHFFFAOYSA-N

Formula

C26H44O3Si2

SMILES

CC12C=CC(=O)C=C1C(O[Si](C)(C)C)CC1C2CCC2(C)C1CCC2(C)O[Si](C)(C)C

Molecular Weight¹

460.80

CAS

67896-65-5

Other Names

• 17-Methyl-6,17-bis[(trimethylsilyl)oxy]androsta-1,4-dien-3-one, (6«beta»,17«beta»)-
• 6-«beta»-Hydroxymetandienone, per-TMS
• 6«beta»-Hydroxy-Methandienone, bis-TMS
• 6«BETA»-hydroxymethandienone, 2tms 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	0.5985		Relay (... Calculated Property
ΔfG°	-21.04	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-771.78	kJ/mol	Relay (... Calculated Property
ΔvapH°	112.59	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-5.31		Relay (... Calculated Property
logPoct/wat	6.735		Crippen Calculated Property
Pc	278.50	kPa	Relay (... Calculated Property ⚠️
Inp	[2915.00; 2919.00]
Inp	2919.00		NIST
Inp	2915.00		NIST
Tboil	670.24	K	Relay (... Calculated Property
Tc	938.22	K	Relay (... Calculated Property
Tfus	404.19	K	Relay (... Calculated Property
Vc	1.443	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 17«alpha»-Methyl-6«beta»,17«beta»-dihydroxy-1,4-androstadien-3-one, bis(trimethylsilyl).

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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