Chemical Properties of Stigmasterol trimethylsilyl ether

InChI

InChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h11-13,22-24,26-30H,10,14-21H2,1-9H3/b12-11+/t23?,24?,26-,27?,28?,29?,30?,31?,32?/m0/s1

InChI Key

SZLWSWKRZSAHBC-WBNRRFFXSA-N

Formula

C32H56OSi

SMILES

CCC(/C=C/C(C)C1CCC2C3CC=C4C[C@@H](O[Si](C)(C)C)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

484.88

Other Names

• Silane, trimethyl[[(3«beta»,22E)-stigmasta-5,22-dien-3-yl]oxy]-
• Silane, trimethyl(stigmasta-5,22-dien-3«beta»-yloxy)-
• 3«beta»-(Trimethylsiloxy)stigmasta-5,22-diene
• (3«beta»,22E)-3-[(Trimethylsilyl)oxy]stigmasta-5,22-diene
• Stigmasterol, TMS
• Stigmasterol, tms derivative

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	122.97	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.46		Relay (1.0) Calculated Property
logPoct/wat	9.660		Crippen Calculated Property
Inp	[3262.00; 3290.00]
Inp	3274.30		NIST
Inp	3262.00		NIST
Inp	3286.00		NIST
Inp	3286.00		NIST
Inp	3274.00		NIST
Inp	3290.00		NIST
Inp	3274.00		NIST
Tboil	688.26	K	Relay (1.0) Calculated Property
Tfus	413.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Stigmasterol trimethylsilyl ether.

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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