3-(1,3-dithian-2-yl)propoxy-triethylsilane

C13H28OS2Si — CID 11220075

IUPAC3-(1,3-dithian-2-yl)propoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC1SCCCS1
InChIInChI=1S/C13H28OS2Si/c1-4-17(5-2,6-3)14-10-7-9-13-15-11-8-12-16-13/h13H,4-12H2,1-3H3
InChIKeyXVCZVRBEDIXXDU-UHFFFAOYSA-N
MW292.59 g/mol
LogP4.98
Rot. Bonds8

About 3-(1,3-dithian-2-yl)propoxy-triethylsilane

3-(1,3-dithian-2-yl)propoxy-triethylsilane (PubChem CID 11220075) has the molecular formula C13H28OS2Si and a molecular weight of 292.59 g/mol. Its IUPAC name is 3-(1,3-dithian-2-yl)propoxy-triethylsilane.

Molecular Properties

Compound Name3-(1,3-dithian-2-yl)propoxy-triethylsilane
PubChem CID11220075
Molecular FormulaC13H28OS2Si
Molecular Weight292.59 g/mol
Exact Mass292.14
IUPAC Name3-(1,3-dithian-2-yl)propoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC1SCCCS1
InChIInChI=1S/C13H28OS2Si/c1-4-17(5-2,6-3)14-10-7-9-13-15-11-8-12-16-13/h13H,4-12H2,1-3H3
InChIKeyXVCZVRBEDIXXDU-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dithian-2-yl)propoxy-triethylsilane?
The IUPAC name of 3-(1,3-dithian-2-yl)propoxy-triethylsilane (CID 11220075) is 3-(1,3-dithian-2-yl)propoxy-triethylsilane.
What is the SMILES notation for 3-(1,3-dithian-2-yl)propoxy-triethylsilane?
The canonical SMILES for 3-(1,3-dithian-2-yl)propoxy-triethylsilane is CC[Si](CC)(CC)OCCCC1SCCCS1.
What is the InChIKey of 3-(1,3-dithian-2-yl)propoxy-triethylsilane?
The InChIKey is XVCZVRBEDIXXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OS2Si/c1-4-17(5-2,6-3)14-10-7-9-13-15-11-8-12-16-13/h13H,4-12H2,1-3H3.
What are the key properties of 3-(1,3-dithian-2-yl)propoxy-triethylsilane?
3-(1,3-dithian-2-yl)propoxy-triethylsilane has a molecular weight of 292.59 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dithian-2-yl)propoxy-triethylsilane is sourced from PubChem (CID 11220075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).