Chemical Properties of N,O-Bis(dimethyl-t-butylsilyl)-l-isoleucine (CAS 107715-90-2)

InChI

InChI=1S/C18H41NO2Si2/c1-13-14(2)15(19-22(9,10)17(3,4)5)16(20)21-23(11,12)18(6,7)8/h14-15,19H,13H2,1-12H3/t14-,15-/m1/s1

InChI Key

YSWZBRBBXWCEQZ-HUUCEWRRSA-N

Formula

C18H41NO2Si2

SMILES

CCC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

359.69

CAS

107715-90-2

Other Names

• L-Isoleucine, N-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester
• tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]amino)-3-methylpentanoate, (2S,3S)-
• Ile, bis-TBDMS
• Isoleucine diTBDMS
• Isoleucine, (2TBDMS)-
• Ile, TBDMS
• Isoleucine, TBDMS
• Isoleucine, 2tbdms 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	0.6319		Relay (1.0) Calculated Property
ΔfG°	-90.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-857.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.33	kJ/mol	Relay (1.0) Calculated Property
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-3.78		Relay (1.0) Calculated Property
logPoct/wat	5.544		Crippen Calculated Property
Pc	1342.51	kPa	Relay (1.0-beta) Calculated Property
Inp	[1712.80; 1756.00]
Inp	1748.00		NIST
Inp	1748.00		NIST
Inp	1712.80		NIST
Inp	1756.00		NIST
Inp	1748.00		NIST
Tboil	529.54	K	Relay (1.0) Calculated Property
Tc	765.95	K	Relay (1.0) Calculated Property
Tfus	328.20	K	Relay (1.0) Calculated Property
Vc	1.218	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N,O-Bis(dimethyl-t-butylsilyl)-l-isoleucine.

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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