1-[dimethyl(sulfo)silyl]butane

C6H16O3SSi — CID 18968523

IUPAC1-[dimethyl(sulfo)silyl]butane
SMILESCCCC[Si](C)(C)S(=O)(=O)O
InChIInChI=1S/C6H16O3SSi/c1-4-5-6-11(2,3)10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
InChIKeyXHGQTPDHSNYCTI-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds4

About 1-[dimethyl(sulfo)silyl]butane

1-[dimethyl(sulfo)silyl]butane (PubChem CID 18968523) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[dimethyl(sulfo)silyl]butane.

Molecular Properties

Compound Name1-[dimethyl(sulfo)silyl]butane
PubChem CID18968523
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name1-[dimethyl(sulfo)silyl]butane
SMILESCCCC[Si](C)(C)S(=O)(=O)O
InChIInChI=1S/C6H16O3SSi/c1-4-5-6-11(2,3)10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
InChIKeyXHGQTPDHSNYCTI-UHFFFAOYSA-N
XLogP1.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(sulfo)silyl]butane?
The IUPAC name of 1-[dimethyl(sulfo)silyl]butane (CID 18968523) is 1-[dimethyl(sulfo)silyl]butane.
What is the SMILES notation for 1-[dimethyl(sulfo)silyl]butane?
The canonical SMILES for 1-[dimethyl(sulfo)silyl]butane is CCCC[Si](C)(C)S(=O)(=O)O.
What is the InChIKey of 1-[dimethyl(sulfo)silyl]butane?
The InChIKey is XHGQTPDHSNYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi/c1-4-5-6-11(2,3)10(7,8)9/h4-6H2,1-3H3,(H,7,8,9).
What are the key properties of 1-[dimethyl(sulfo)silyl]butane?
1-[dimethyl(sulfo)silyl]butane has a molecular weight of 196.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(sulfo)silyl]butane is sourced from PubChem (CID 18968523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).