2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane

C6H18OS2Si3 — CID 13126476

IUPAC2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane
SMILESC[Si]1(C)O[Si](C)(C)S[Si](C)(C)S1
InChIInChI=1S/C6H18OS2Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
InChIKeyCBZUCTIRXYVNDH-UHFFFAOYSA-N
MW254.60 g/mol
LogP3.59
Rot. Bonds

About 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane

2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane (PubChem CID 13126476) has the molecular formula C6H18OS2Si3 and a molecular weight of 254.60 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane
PubChem CID13126476
Molecular FormulaC6H18OS2Si3
Molecular Weight254.60 g/mol
Exact Mass254.01
IUPAC Name2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane
SMILESC[Si]1(C)O[Si](C)(C)S[Si](C)(C)S1
InChIInChI=1S/C6H18OS2Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
InChIKeyCBZUCTIRXYVNDH-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane?
The IUPAC name of 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane (CID 13126476) is 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane.
What is the SMILES notation for 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane?
The canonical SMILES for 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane is C[Si]1(C)O[Si](C)(C)S[Si](C)(C)S1.
What is the InChIKey of 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane?
The InChIKey is CBZUCTIRXYVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18OS2Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3.
What are the key properties of 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane?
2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane has a molecular weight of 254.60 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-oxadithiatrisilinane is sourced from PubChem (CID 13126476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).