2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid

C9H20O2SSi — CID 57140172

IUPAC2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid
SMILESCCCC[Si](C)(C)CSCC(=O)O
InChIInChI=1S/C9H20O2SSi/c1-4-5-6-13(2,3)8-12-7-9(10)11/h4-8H2,1-3H3,(H,10,11)
InChIKeyPYEAXMTUEYNVMI-UHFFFAOYSA-N
MW220.41 g/mol
LogP2.85
Rot. Bonds7

About 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid

2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid (PubChem CID 57140172) has the molecular formula C9H20O2SSi and a molecular weight of 220.41 g/mol. Its IUPAC name is 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid
PubChem CID57140172
Molecular FormulaC9H20O2SSi
Molecular Weight220.41 g/mol
Exact Mass220.10
IUPAC Name2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid
SMILESCCCC[Si](C)(C)CSCC(=O)O
InChIInChI=1S/C9H20O2SSi/c1-4-5-6-13(2,3)8-12-7-9(10)11/h4-8H2,1-3H3,(H,10,11)
InChIKeyPYEAXMTUEYNVMI-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid?
The IUPAC name of 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid (CID 57140172) is 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid?
The canonical SMILES for 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid is CCCC[Si](C)(C)CSCC(=O)O.
What is the InChIKey of 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid?
The InChIKey is PYEAXMTUEYNVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2SSi/c1-4-5-6-13(2,3)8-12-7-9(10)11/h4-8H2,1-3H3,(H,10,11).
What are the key properties of 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid?
2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid has a molecular weight of 220.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(dimethyl)silyl]methylsulfanyl]acetic acid is sourced from PubChem (CID 57140172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).