2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid

C13H34O5SSi4 — CID 178068194

IUPAC2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid
SMILESC[Si](C)(C)O[Si](CCSCC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H34O5SSi4/c1-20(2,3)16-23(17-21(4,5)6,18-22(7,8)9)11-10-19-12-13(14)15/h10-12H2,1-9H3,(H,14,15)
InChIKeyXURHJPOSNRBXKN-UHFFFAOYSA-N
MW414.82 g/mol
LogP4.30
Rot. Bonds11

About 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid

2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid (PubChem CID 178068194) has the molecular formula C13H34O5SSi4 and a molecular weight of 414.82 g/mol. Its IUPAC name is 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid
PubChem CID178068194
Molecular FormulaC13H34O5SSi4
Molecular Weight414.82 g/mol
Exact Mass414.12
IUPAC Name2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid
SMILESC[Si](C)(C)O[Si](CCSCC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H34O5SSi4/c1-20(2,3)16-23(17-21(4,5)6,18-22(7,8)9)11-10-19-12-13(14)15/h10-12H2,1-9H3,(H,14,15)
InChIKeyXURHJPOSNRBXKN-UHFFFAOYSA-N
XLogP4.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid (CID 178068194) is 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid is C[Si](C)(C)O[Si](CCSCC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid?
The InChIKey is XURHJPOSNRBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34O5SSi4/c1-20(2,3)16-23(17-21(4,5)6,18-22(7,8)9)11-10-19-12-13(14)15/h10-12H2,1-9H3,(H,14,15).
What are the key properties of 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid?
2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid has a molecular weight of 414.82 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tris(trimethylsilyloxy)silylethylsulfanyl]acetic acid is sourced from PubChem (CID 178068194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).