3-chloropropoxy(diethoxy)silane

C7H17ClO3Si — CID 123885341

IUPAC3-chloropropoxy(diethoxy)silane
SMILESCCO[SiH](OCC)OCCCCl
InChIInChI=1S/C7H17ClO3Si/c1-3-9-12(10-4-2)11-7-5-6-8/h12H,3-7H2,1-2H3
InChIKeyOQQPWELMRUKONF-UHFFFAOYSA-N
MW212.75 g/mol
LogP1.42
Rot. Bonds8

About 3-chloropropoxy(diethoxy)silane

3-chloropropoxy(diethoxy)silane (PubChem CID 123885341) has the molecular formula C7H17ClO3Si and a molecular weight of 212.75 g/mol. Its IUPAC name is 3-chloropropoxy(diethoxy)silane.

Molecular Properties

Compound Name3-chloropropoxy(diethoxy)silane
PubChem CID123885341
Molecular FormulaC7H17ClO3Si
Molecular Weight212.75 g/mol
Exact Mass212.06
IUPAC Name3-chloropropoxy(diethoxy)silane
SMILESCCO[SiH](OCC)OCCCCl
InChIInChI=1S/C7H17ClO3Si/c1-3-9-12(10-4-2)11-7-5-6-8/h12H,3-7H2,1-2H3
InChIKeyOQQPWELMRUKONF-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-chloropropoxy(diethoxy)silane?
The IUPAC name of 3-chloropropoxy(diethoxy)silane (CID 123885341) is 3-chloropropoxy(diethoxy)silane.
What is the SMILES notation for 3-chloropropoxy(diethoxy)silane?
The canonical SMILES for 3-chloropropoxy(diethoxy)silane is CCO[SiH](OCC)OCCCCl.
What is the InChIKey of 3-chloropropoxy(diethoxy)silane?
The InChIKey is OQQPWELMRUKONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO3Si/c1-3-9-12(10-4-2)11-7-5-6-8/h12H,3-7H2,1-2H3.
What are the key properties of 3-chloropropoxy(diethoxy)silane?
3-chloropropoxy(diethoxy)silane has a molecular weight of 212.75 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropoxy(diethoxy)silane is sourced from PubChem (CID 123885341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).