4-chlorobutyl-tris(1-methoxyethoxy)silane

C13H29ClO6Si — CID 18954188

IUPAC4-chlorobutyl-tris(1-methoxyethoxy)silane
SMILESCOC(C)O[Si](CCCCCl)(OC(C)OC)OC(C)OC
InChIInChI=1S/C13H29ClO6Si/c1-11(15-4)18-21(10-8-7-9-14,19-12(2)16-5)20-13(3)17-6/h11-13H,7-10H2,1-6H3
InChIKeyYODXPXQCTKMNLF-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.97
Rot. Bonds13

About 4-chlorobutyl-tris(1-methoxyethoxy)silane

4-chlorobutyl-tris(1-methoxyethoxy)silane (PubChem CID 18954188) has the molecular formula C13H29ClO6Si and a molecular weight of 344.91 g/mol. Its IUPAC name is 4-chlorobutyl-tris(1-methoxyethoxy)silane.

Molecular Properties

Compound Name4-chlorobutyl-tris(1-methoxyethoxy)silane
PubChem CID18954188
Molecular FormulaC13H29ClO6Si
Molecular Weight344.91 g/mol
Exact Mass344.14
IUPAC Name4-chlorobutyl-tris(1-methoxyethoxy)silane
SMILESCOC(C)O[Si](CCCCCl)(OC(C)OC)OC(C)OC
InChIInChI=1S/C13H29ClO6Si/c1-11(15-4)18-21(10-8-7-9-14,19-12(2)16-5)20-13(3)17-6/h11-13H,7-10H2,1-6H3
InChIKeyYODXPXQCTKMNLF-UHFFFAOYSA-N
XLogP2.97
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-chlorobutyl-tris(1-methoxyethoxy)silane?
The IUPAC name of 4-chlorobutyl-tris(1-methoxyethoxy)silane (CID 18954188) is 4-chlorobutyl-tris(1-methoxyethoxy)silane.
What is the SMILES notation for 4-chlorobutyl-tris(1-methoxyethoxy)silane?
The canonical SMILES for 4-chlorobutyl-tris(1-methoxyethoxy)silane is COC(C)O[Si](CCCCCl)(OC(C)OC)OC(C)OC.
What is the InChIKey of 4-chlorobutyl-tris(1-methoxyethoxy)silane?
The InChIKey is YODXPXQCTKMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29ClO6Si/c1-11(15-4)18-21(10-8-7-9-14,19-12(2)16-5)20-13(3)17-6/h11-13H,7-10H2,1-6H3.
What are the key properties of 4-chlorobutyl-tris(1-methoxyethoxy)silane?
4-chlorobutyl-tris(1-methoxyethoxy)silane has a molecular weight of 344.91 g/mol, XLogP of 2.97, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutyl-tris(1-methoxyethoxy)silane is sourced from PubChem (CID 18954188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).