3-chloropropyl-dihydroxy-methoxysilane

C4H11ClO3Si — CID 90302426

IUPAC3-chloropropyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCCCl
InChIInChI=1S/C4H11ClO3Si/c1-8-9(6,7)4-2-3-5/h6-7H,2-4H2,1H3
InChIKeyLOSDFHPLRFUNGB-UHFFFAOYSA-N
MW170.67 g/mol
LogP0.19
Rot. Bonds4

About 3-chloropropyl-dihydroxy-methoxysilane

3-chloropropyl-dihydroxy-methoxysilane (PubChem CID 90302426) has the molecular formula C4H11ClO3Si and a molecular weight of 170.67 g/mol. Its IUPAC name is 3-chloropropyl-dihydroxy-methoxysilane.

Molecular Properties

Compound Name3-chloropropyl-dihydroxy-methoxysilane
PubChem CID90302426
Molecular FormulaC4H11ClO3Si
Molecular Weight170.67 g/mol
Exact Mass170.02
IUPAC Name3-chloropropyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCCCl
InChIInChI=1S/C4H11ClO3Si/c1-8-9(6,7)4-2-3-5/h6-7H,2-4H2,1H3
InChIKeyLOSDFHPLRFUNGB-UHFFFAOYSA-N
XLogP0.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.67
LogP ≤ 50.19
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-dihydroxy-methoxysilane?
The IUPAC name of 3-chloropropyl-dihydroxy-methoxysilane (CID 90302426) is 3-chloropropyl-dihydroxy-methoxysilane.
What is the SMILES notation for 3-chloropropyl-dihydroxy-methoxysilane?
The canonical SMILES for 3-chloropropyl-dihydroxy-methoxysilane is CO[Si](O)(O)CCCCl.
What is the InChIKey of 3-chloropropyl-dihydroxy-methoxysilane?
The InChIKey is LOSDFHPLRFUNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClO3Si/c1-8-9(6,7)4-2-3-5/h6-7H,2-4H2,1H3.
What are the key properties of 3-chloropropyl-dihydroxy-methoxysilane?
3-chloropropyl-dihydroxy-methoxysilane has a molecular weight of 170.67 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-dihydroxy-methoxysilane is sourced from PubChem (CID 90302426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).