3-chloropropyl-tris(1-methoxyethoxy)silane

C12H27ClO6Si — CID 18429084

IUPAC3-chloropropyl-tris(1-methoxyethoxy)silane
SMILESCOC(C)O[Si](CCCCl)(OC(C)OC)OC(C)OC
InChIInChI=1S/C12H27ClO6Si/c1-10(14-4)17-20(9-7-8-13,18-11(2)15-5)19-12(3)16-6/h10-12H,7-9H2,1-6H3
InChIKeyJLJREONYWLBQKL-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.58
Rot. Bonds12

About 3-chloropropyl-tris(1-methoxyethoxy)silane

3-chloropropyl-tris(1-methoxyethoxy)silane (PubChem CID 18429084) has the molecular formula C12H27ClO6Si and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-chloropropyl-tris(1-methoxyethoxy)silane.

Molecular Properties

Compound Name3-chloropropyl-tris(1-methoxyethoxy)silane
PubChem CID18429084
Molecular FormulaC12H27ClO6Si
Molecular Weight330.88 g/mol
Exact Mass330.13
IUPAC Name3-chloropropyl-tris(1-methoxyethoxy)silane
SMILESCOC(C)O[Si](CCCCl)(OC(C)OC)OC(C)OC
InChIInChI=1S/C12H27ClO6Si/c1-10(14-4)17-20(9-7-8-13,18-11(2)15-5)19-12(3)16-6/h10-12H,7-9H2,1-6H3
InChIKeyJLJREONYWLBQKL-UHFFFAOYSA-N
XLogP2.58
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 3-chloropropyl-tris(1-methoxyethoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloroethyl-tris-ethoxymethoxy silane
CID 54288725
4-Chlorobutyl-tris(1-methoxyethoxy)silane
CID 18954188
1-Chloropropan-2-yl-tris(1-methoxyethoxy)silane
CID 20497622
2-Chloroethyl-tris(1-ethoxyethoxy)silane
CID 20537253
2-Chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane
CID 20537272
2-Chloroethyl-bis(ethoxymethoxy)-ethylsilane
CID 53632174
Bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane
CID 54319803
2-Chloroethyl-ethoxy-bis(ethoxymethoxy)silane
CID 57133200
CID 87063294
CID 87063294
Chloromethyl-tris(1-methoxyethoxy)silane
CID 87407458
1-Chloropropyl-tris(1-methoxyethoxy)silane
CID 87704035
2-Chloroethyl-bis(1-methoxyethoxy)-methylsilane
CID 88751526

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-tris(1-methoxyethoxy)silane?
The IUPAC name of 3-chloropropyl-tris(1-methoxyethoxy)silane (CID 18429084) is 3-chloropropyl-tris(1-methoxyethoxy)silane.
What is the SMILES notation for 3-chloropropyl-tris(1-methoxyethoxy)silane?
The canonical SMILES for 3-chloropropyl-tris(1-methoxyethoxy)silane is COC(C)O[Si](CCCCl)(OC(C)OC)OC(C)OC.
What is the InChIKey of 3-chloropropyl-tris(1-methoxyethoxy)silane?
The InChIKey is JLJREONYWLBQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClO6Si/c1-10(14-4)17-20(9-7-8-13,18-11(2)15-5)19-12(3)16-6/h10-12H,7-9H2,1-6H3.
What are the key properties of 3-chloropropyl-tris(1-methoxyethoxy)silane?
3-chloropropyl-tris(1-methoxyethoxy)silane has a molecular weight of 330.88 g/mol, XLogP of 2.58, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-tris(1-methoxyethoxy)silane is sourced from PubChem (CID 18429084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).