(3-chlorophenyl)-triethoxysilane

C12H19ClO3Si — CID 2757876

IUPAC(3-chlorophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-8-11(13)10-12/h7-10H,4-6H2,1-3H3
InChIKeyNVTQIOPTWYVSFR-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.60
Rot. Bonds7

About (3-chlorophenyl)-triethoxysilane

(3-chlorophenyl)-triethoxysilane (PubChem CID 2757876) has the molecular formula C12H19ClO3Si and a molecular weight of 274.82 g/mol. Its IUPAC name is (3-chlorophenyl)-triethoxysilane.

Molecular Properties

Compound Name(3-chlorophenyl)-triethoxysilane
PubChem CID2757876
Molecular FormulaC12H19ClO3Si
Molecular Weight274.82 g/mol
Exact Mass274.08
IUPAC Name(3-chlorophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-8-11(13)10-12/h7-10H,4-6H2,1-3H3
InChIKeyNVTQIOPTWYVSFR-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-triethoxysilane?
The IUPAC name of (3-chlorophenyl)-triethoxysilane (CID 2757876) is (3-chlorophenyl)-triethoxysilane.
What is the SMILES notation for (3-chlorophenyl)-triethoxysilane?
The canonical SMILES for (3-chlorophenyl)-triethoxysilane is CCO[Si](OCC)(OCC)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-triethoxysilane?
The InChIKey is NVTQIOPTWYVSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-8-11(13)10-12/h7-10H,4-6H2,1-3H3.
What are the key properties of (3-chlorophenyl)-triethoxysilane?
(3-chlorophenyl)-triethoxysilane has a molecular weight of 274.82 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-triethoxysilane is sourced from PubChem (CID 2757876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).