1,3-dithian-2-yl(triethyl)silane

C10H22S2Si — CID 11230069

IUPAC1,3-dithian-2-yl(triethyl)silane
SMILESCC[Si](CC)(CC)C1SCCCS1
InChIInChI=1S/C10H22S2Si/c1-4-13(5-2,6-3)10-11-8-7-9-12-10/h10H,4-9H2,1-3H3
InChIKeyVQUKGSUDJHXFGO-UHFFFAOYSA-N
MW234.51 g/mol
LogP4.23
Rot. Bonds4

About 1,3-dithian-2-yl(triethyl)silane

1,3-dithian-2-yl(triethyl)silane (PubChem CID 11230069) has the molecular formula C10H22S2Si and a molecular weight of 234.51 g/mol. Its IUPAC name is 1,3-dithian-2-yl(triethyl)silane.

Molecular Properties

Compound Name1,3-dithian-2-yl(triethyl)silane
PubChem CID11230069
Molecular FormulaC10H22S2Si
Molecular Weight234.51 g/mol
Exact Mass234.09
IUPAC Name1,3-dithian-2-yl(triethyl)silane
SMILESCC[Si](CC)(CC)C1SCCCS1
InChIInChI=1S/C10H22S2Si/c1-4-13(5-2,6-3)10-11-8-7-9-12-10/h10H,4-9H2,1-3H3
InChIKeyVQUKGSUDJHXFGO-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
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 1,3-dithian-2-yl(triethyl)silane?
The IUPAC name of 1,3-dithian-2-yl(triethyl)silane (CID 11230069) is 1,3-dithian-2-yl(triethyl)silane.
What is the SMILES notation for 1,3-dithian-2-yl(triethyl)silane?
The canonical SMILES for 1,3-dithian-2-yl(triethyl)silane is CC[Si](CC)(CC)C1SCCCS1.
What is the InChIKey of 1,3-dithian-2-yl(triethyl)silane?
The InChIKey is VQUKGSUDJHXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2Si/c1-4-13(5-2,6-3)10-11-8-7-9-12-10/h10H,4-9H2,1-3H3.
What are the key properties of 1,3-dithian-2-yl(triethyl)silane?
1,3-dithian-2-yl(triethyl)silane has a molecular weight of 234.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithian-2-yl(triethyl)silane is sourced from PubChem (CID 11230069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).