trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate

C13H33NO2SSi3 — CID 553561

IUPACtrimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate
SMILESC[Si](C)(C)NC(CCS[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H33NO2SSi3/c1-18(2,3)14-12(10-11-17-20(7,8)9)13(15)16-19(4,5)6/h12,14H,10-11H2,1-9H3
InChIKeyCLUWSVSFUBNCJV-UHFFFAOYSA-N
MW351.74 g/mol
LogP4.12
Rot. Bonds8

About trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate

trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate (PubChem CID 553561) has the molecular formula C13H33NO2SSi3 and a molecular weight of 351.74 g/mol. Its IUPAC name is trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate
PubChem CID553561
Molecular FormulaC13H33NO2SSi3
Molecular Weight351.74 g/mol
Exact Mass351.15
IUPAC Nametrimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate
SMILESC[Si](C)(C)NC(CCS[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H33NO2SSi3/c1-18(2,3)14-12(10-11-17-20(7,8)9)13(15)16-19(4,5)6/h12,14H,10-11H2,1-9H3
InChIKeyCLUWSVSFUBNCJV-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 54.12
H-Bond Donors ≤ 51
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 trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate?
The IUPAC name of trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate (CID 553561) is trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate.
What is the SMILES notation for trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate?
The canonical SMILES for trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate is C[Si](C)(C)NC(CCS[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate?
The InChIKey is CLUWSVSFUBNCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33NO2SSi3/c1-18(2,3)14-12(10-11-17-20(7,8)9)13(15)16-19(4,5)6/h12,14H,10-11H2,1-9H3.
What are the key properties of trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate?
trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate has a molecular weight of 351.74 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(trimethylsilylamino)-4-trimethylsilylsulfanylbutanoate is sourced from PubChem (CID 553561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).