3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane

C15H33ClOSi — CID 564756

IUPAC3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane
SMILESCCC(CC)CCC(CC)O[Si](C)(C)CCCCl
InChIInChI=1S/C15H33ClOSi/c1-6-14(7-2)10-11-15(8-3)17-18(4,5)13-9-12-16/h14-15H,6-13H2,1-5H3
InChIKeyXHWIHRXQVVGCOG-UHFFFAOYSA-N
MW292.97 g/mol
LogP5.83
Rot. Bonds11

About 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane

3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane (PubChem CID 564756) has the molecular formula C15H33ClOSi and a molecular weight of 292.97 g/mol. Its IUPAC name is 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Name3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane
PubChem CID564756
Molecular FormulaC15H33ClOSi
Molecular Weight292.97 g/mol
Exact Mass292.20
IUPAC Name3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane
SMILESCCC(CC)CCC(CC)O[Si](C)(C)CCCCl
InChIInChI=1S/C15H33ClOSi/c1-6-14(7-2)10-11-15(8-3)17-18(4,5)13-9-12-16/h14-15H,6-13H2,1-5H3
InChIKeyXHWIHRXQVVGCOG-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.97
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
The IUPAC name of 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane (CID 564756) is 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane.
What is the SMILES notation for 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
The canonical SMILES for 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane is CCC(CC)CCC(CC)O[Si](C)(C)CCCCl.
What is the InChIKey of 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
The InChIKey is XHWIHRXQVVGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33ClOSi/c1-6-14(7-2)10-11-15(8-3)17-18(4,5)13-9-12-16/h14-15H,6-13H2,1-5H3.
What are the key properties of 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane has a molecular weight of 292.97 g/mol, XLogP of 5.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-(6-ethyloctan-3-yloxy)-dimethylsilane is sourced from PubChem (CID 564756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).