3-chloropropyl-ethoxy-dihydroxysilane

C5H13ClO3Si — CID 100958027

IUPAC3-chloropropyl-ethoxy-dihydroxysilane
SMILESCCO[Si](O)(O)CCCCl
InChIInChI=1S/C5H13ClO3Si/c1-2-9-10(7,8)5-3-4-6/h7-8H,2-5H2,1H3
InChIKeyOCBBHFPPMKIDLG-UHFFFAOYSA-N
MW184.69 g/mol
LogP0.58
Rot. Bonds5

About 3-chloropropyl-ethoxy-dihydroxysilane

3-chloropropyl-ethoxy-dihydroxysilane (PubChem CID 100958027) has the molecular formula C5H13ClO3Si and a molecular weight of 184.69 g/mol. Its IUPAC name is 3-chloropropyl-ethoxy-dihydroxysilane.

Molecular Properties

Compound Name3-chloropropyl-ethoxy-dihydroxysilane
PubChem CID100958027
Molecular FormulaC5H13ClO3Si
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name3-chloropropyl-ethoxy-dihydroxysilane
SMILESCCO[Si](O)(O)CCCCl
InChIInChI=1S/C5H13ClO3Si/c1-2-9-10(7,8)5-3-4-6/h7-8H,2-5H2,1H3
InChIKeyOCBBHFPPMKIDLG-UHFFFAOYSA-N
XLogP0.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxy-dihydroxysilane?
The IUPAC name of 3-chloropropyl-ethoxy-dihydroxysilane (CID 100958027) is 3-chloropropyl-ethoxy-dihydroxysilane.
What is the SMILES notation for 3-chloropropyl-ethoxy-dihydroxysilane?
The canonical SMILES for 3-chloropropyl-ethoxy-dihydroxysilane is CCO[Si](O)(O)CCCCl.
What is the InChIKey of 3-chloropropyl-ethoxy-dihydroxysilane?
The InChIKey is OCBBHFPPMKIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClO3Si/c1-2-9-10(7,8)5-3-4-6/h7-8H,2-5H2,1H3.
What are the key properties of 3-chloropropyl-ethoxy-dihydroxysilane?
3-chloropropyl-ethoxy-dihydroxysilane has a molecular weight of 184.69 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-ethoxy-dihydroxysilane is sourced from PubChem (CID 100958027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).