3-chloropropyl(diethoxy)methylsilane

C8H17ClO2Si — CID 53400849

IUPAC—
SMILESCCOC(OCC)[Si]CCCCl
InChIInChI=1S/C8H17ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7H2,1-2H3
InChIKeyMOOOIFRAJUYUQD-UHFFFAOYSA-N
MW208.76 g/mol
LogP2.09
Rot. Bonds8

About 3-chloropropyl(diethoxy)methylsilane

3-chloropropyl(diethoxy)methylsilane (PubChem CID 53400849) has the molecular formula C8H17ClO2Si and a molecular weight of 208.76 g/mol.

Molecular Properties

Compound Name3-chloropropyl(diethoxy)methylsilane
PubChem CID53400849
Molecular FormulaC8H17ClO2Si
Molecular Weight208.76 g/mol
Exact Mass208.07
IUPAC Name—
SMILESCCOC(OCC)[Si]CCCCl
InChIInChI=1S/C8H17ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7H2,1-2H3
InChIKeyMOOOIFRAJUYUQD-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.76
LogP ≤ 52.09
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(diethoxy)methylsilane?
The IUPAC name of 3-chloropropyl(diethoxy)methylsilane (CID 53400849) is not available.
What is the SMILES notation for 3-chloropropyl(diethoxy)methylsilane?
The canonical SMILES for 3-chloropropyl(diethoxy)methylsilane is CCOC(OCC)[Si]CCCCl.
What is the InChIKey of 3-chloropropyl(diethoxy)methylsilane?
The InChIKey is MOOOIFRAJUYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7H2,1-2H3.
What are the key properties of 3-chloropropyl(diethoxy)methylsilane?
3-chloropropyl(diethoxy)methylsilane has a molecular weight of 208.76 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(diethoxy)methylsilane is sourced from PubChem (CID 53400849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).