CID 87103859

C6H16NaO3SSi — CID 87103859

IUPAC—
SMILESCCC[Si](C)(C)CS(=O)(=O)O.[Na]
InChIInChI=1S/C6H16O3SSi.Na/c1-4-5-11(2,3)6-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);
InChIKeyOTABHZLYESBCRL-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.15
Rot. Bonds4

About CID 87103859

CID 87103859 (PubChem CID 87103859) has the molecular formula C6H16NaO3SSi and a molecular weight of 219.33 g/mol.

Molecular Properties

Compound NameCID 87103859
PubChem CID87103859
Molecular FormulaC6H16NaO3SSi
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name—
SMILESCCC[Si](C)(C)CS(=O)(=O)O.[Na]
InChIInChI=1S/C6H16O3SSi.Na/c1-4-5-11(2,3)6-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);
InChIKeyOTABHZLYESBCRL-UHFFFAOYSA-N
XLogP1.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.15
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 CID 87103859?
The IUPAC name of CID 87103859 (CID 87103859) is not available.
What is the SMILES notation for CID 87103859?
The canonical SMILES for CID 87103859 is CCC[Si](C)(C)CS(=O)(=O)O.[Na].
What is the InChIKey of CID 87103859?
The InChIKey is OTABHZLYESBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi.Na/c1-4-5-11(2,3)6-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);.
What are the key properties of CID 87103859?
CID 87103859 has a molecular weight of 219.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87103859 is sourced from PubChem (CID 87103859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).