1-chloropropyl(triethoxy)silane

C9H21ClO3Si — CID 3015478

IUPAC1-chloropropyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(Cl)CC
InChIInChI=1S/C9H21ClO3Si/c1-5-9(10)14(11-6-2,12-7-3)13-8-4/h9H,5-8H2,1-4H3
InChIKeyLUHFFAFBORUUNF-UHFFFAOYSA-N
MW240.80 g/mol
LogP2.59
Rot. Bonds8

About 1-chloropropyl(triethoxy)silane

1-chloropropyl(triethoxy)silane (PubChem CID 3015478) has the molecular formula C9H21ClO3Si and a molecular weight of 240.80 g/mol. Its IUPAC name is 1-chloropropyl(triethoxy)silane.

Molecular Properties

Compound Name1-chloropropyl(triethoxy)silane
PubChem CID3015478
Molecular FormulaC9H21ClO3Si
Molecular Weight240.80 g/mol
Exact Mass240.09
IUPAC Name1-chloropropyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(Cl)CC
InChIInChI=1S/C9H21ClO3Si/c1-5-9(10)14(11-6-2,12-7-3)13-8-4/h9H,5-8H2,1-4H3
InChIKeyLUHFFAFBORUUNF-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 52.59
H-Bond Donors ≤ 50
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 1-chloropropyl(triethoxy)silane?
The IUPAC name of 1-chloropropyl(triethoxy)silane (CID 3015478) is 1-chloropropyl(triethoxy)silane.
What is the SMILES notation for 1-chloropropyl(triethoxy)silane?
The canonical SMILES for 1-chloropropyl(triethoxy)silane is CCO[Si](OCC)(OCC)C(Cl)CC.
What is the InChIKey of 1-chloropropyl(triethoxy)silane?
The InChIKey is LUHFFAFBORUUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO3Si/c1-5-9(10)14(11-6-2,12-7-3)13-8-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-chloropropyl(triethoxy)silane?
1-chloropropyl(triethoxy)silane has a molecular weight of 240.80 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropyl(triethoxy)silane is sourced from PubChem (CID 3015478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).