Chemical Properties of 5«beta»-Androstan-17-one, 3«alpha»,11«beta»-bis(trimethylsiloxy)- (CAS 17562-89-9)

InChI

InChI=1S/C25H46O3Si2/c1-24-14-13-18(27-29(3,4)5)15-17(24)9-10-19-20-11-12-22(26)25(20,2)16-21(23(19)24)28-30(6,7)8/h17-21,23H,9-16H2,1-8H3/t17-,18-,19?,20?,21+,23?,24?,25?/m0/s1

InChI Key

SVZGBEADGIZYEM-WVUMPWGQSA-N

Formula

C25H46O3Si2

SMILES

CC12CC(O[Si](C)(C)C)C3C(CCC4CC(O[Si](C)(C)C)CCC43C)C1CCC2=O

Molecular Weight¹

450.80

CAS

17562-89-9

Other Names

• 3,11-Bis[(trimethylsilyl)oxy]androstan-17-one, (3«alpha»,5«beta»,11«beta»)-
• 11«beta»-Hydroxyetiocholanolone, bis-TMS
• 3«alpha»,11«beta»-Dihydroxy-5«beta»-androstan-17-one, bis-TMS
• 3A,11B-dihydroxy-5B-androstan-17-one, enol, bis-TMS
• 11B-Hydroxyetiocholanolone, TMS
• 11-Hydroxyetiocholanolone (3«alpha»,5«beta»,11«beta»)-, 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	0.6123		Relay (... Calculated Property
ΔfG°	-61.73	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-915.62	kJ/mol	Relay (... Calculated Property
ΔvapH°	99.84	kJ/mol	Relay (... Calculated Property
IE	8.89	eV	Relay (... Calculated Property
log10WS	-5.53		Relay (... Calculated Property
logPoct/wat	6.648		Crippen Calculated Property
Pc	245.97	kPa	Relay (... Calculated Property ⚠️
Inp	[2683.00; 2696.00]
Inp	2683.00		NIST
Inp	2693.00		NIST
Inp	2696.00		NIST
Inp	2696.00		NIST
Inp	2693.00		NIST
Tboil	674.94	K	Relay (... Calculated Property
Tc	943.08	K	Relay (... Calculated Property
Tfus	390.54	K	Relay (... Calculated Property
Vc	1.433	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»-Androstan-17-one, 3«alpha»,11«beta»-bis(trimethylsiloxy)-.

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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