trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate

C12H29NO2SSi2 — CID 605289

IUPACtrimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate
SMILESCCSCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H29NO2SSi2/c1-8-16-10-9-11(13-17(2,3)4)12(14)15-18(5,6)7/h11,13H,8-10H2,1-7H3
InChIKeyUJCCWAHITMAASG-UHFFFAOYSA-N
MW307.61 g/mol
LogP3.30
Rot. Bonds8

About trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate

trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate (PubChem CID 605289) has the molecular formula C12H29NO2SSi2 and a molecular weight of 307.61 g/mol. Its IUPAC name is trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate
PubChem CID605289
Molecular FormulaC12H29NO2SSi2
Molecular Weight307.61 g/mol
Exact Mass307.15
IUPAC Nametrimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate
SMILESCCSCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H29NO2SSi2/c1-8-16-10-9-11(13-17(2,3)4)12(14)15-18(5,6)7/h11,13H,8-10H2,1-7H3
InChIKeyUJCCWAHITMAASG-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate?
The IUPAC name of trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate (CID 605289) is trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate.
What is the SMILES notation for trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate?
The canonical SMILES for trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate is CCSCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate?
The InChIKey is UJCCWAHITMAASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2SSi2/c1-8-16-10-9-11(13-17(2,3)4)12(14)15-18(5,6)7/h11,13H,8-10H2,1-7H3.
What are the key properties of trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate?
trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate has a molecular weight of 307.61 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-ethylsulfanyl-2-(trimethylsilylamino)butanoate is sourced from PubChem (CID 605289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).