[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate

C22H50N2O3Si3 — CID 22212014

IUPAC[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate
SMILESCC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H50N2O3Si3/c1-20(2,3)28(10,11)23-17(19(26)27-30(14,15)22(7,8)9)16-18(25)24-29(12,13)21(4,5)6/h17,23H,16H2,1-15H3,(H,24,25)/t17-/m0/s1
InChIKeyQOAONZDISIOCNC-KRWDZBQOSA-N
MW474.91 g/mol
LogP6.01
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate

[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate (PubChem CID 22212014) has the molecular formula C22H50N2O3Si3 and a molecular weight of 474.91 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate
PubChem CID22212014
Molecular FormulaC22H50N2O3Si3
Molecular Weight474.91 g/mol
Exact Mass474.31
IUPAC Name[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate
SMILESCC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H50N2O3Si3/c1-20(2,3)28(10,11)23-17(19(26)27-30(14,15)22(7,8)9)16-18(25)24-29(12,13)21(4,5)6/h17,23H,16H2,1-15H3,(H,24,25)/t17-/m0/s1
InChIKeyQOAONZDISIOCNC-KRWDZBQOSA-N
XLogP6.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate (CID 22212014) is [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate is CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate?
The InChIKey is QOAONZDISIOCNC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H50N2O3Si3/c1-20(2,3)28(10,11)23-17(19(26)27-30(14,15)22(7,8)9)16-18(25)24-29(12,13)21(4,5)6/h17,23H,16H2,1-15H3,(H,24,25)/t17-/m0/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate?
[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate has a molecular weight of 474.91 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate is sourced from PubChem (CID 22212014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).