3-chloropropyl(diethoxymethyl)silane

C8H19ClO2Si — CID 57348094

IUPAC3-chloropropyl(diethoxymethyl)silane
SMILESCCOC(OCC)[SiH2]CCCCl
InChIInChI=1S/C8H19ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7,12H2,1-2H3
InChIKeyPGOBLSHQPLVMNX-UHFFFAOYSA-N
MW210.78 g/mol
LogP1.56
Rot. Bonds8

About 3-chloropropyl(diethoxymethyl)silane

3-chloropropyl(diethoxymethyl)silane (PubChem CID 57348094) has the molecular formula C8H19ClO2Si and a molecular weight of 210.78 g/mol. Its IUPAC name is 3-chloropropyl(diethoxymethyl)silane.

Molecular Properties

Compound Name3-chloropropyl(diethoxymethyl)silane
PubChem CID57348094
Molecular FormulaC8H19ClO2Si
Molecular Weight210.78 g/mol
Exact Mass210.08
IUPAC Name3-chloropropyl(diethoxymethyl)silane
SMILESCCOC(OCC)[SiH2]CCCCl
InChIInChI=1S/C8H19ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7,12H2,1-2H3
InChIKeyPGOBLSHQPLVMNX-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.78
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl(diethoxymethyl)silane?
The IUPAC name of 3-chloropropyl(diethoxymethyl)silane (CID 57348094) is 3-chloropropyl(diethoxymethyl)silane.
What is the SMILES notation for 3-chloropropyl(diethoxymethyl)silane?
The canonical SMILES for 3-chloropropyl(diethoxymethyl)silane is CCOC(OCC)[SiH2]CCCCl.
What is the InChIKey of 3-chloropropyl(diethoxymethyl)silane?
The InChIKey is PGOBLSHQPLVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7,12H2,1-2H3.
What are the key properties of 3-chloropropyl(diethoxymethyl)silane?
3-chloropropyl(diethoxymethyl)silane has a molecular weight of 210.78 g/mol, XLogP of 1.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(diethoxymethyl)silane is sourced from PubChem (CID 57348094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).