bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane

C14H31ClO4Si — CID 54319803

IUPACbis(butoxymethoxy)-(2-chloroethyl)-ethylsilane
SMILESCCCCOCO[Si](CC)(CCCl)OCOCCCC
InChIInChI=1S/C14H31ClO4Si/c1-4-7-10-16-13-18-20(6-3,12-9-15)19-14-17-11-8-5-2/h4-14H2,1-3H3
InChIKeySQUZYEHECJOYCG-UHFFFAOYSA-N
MW326.94 g/mol
LogP4.27
Rot. Bonds15

About bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane

bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane (PubChem CID 54319803) has the molecular formula C14H31ClO4Si and a molecular weight of 326.94 g/mol. Its IUPAC name is bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane.

Molecular Properties

Compound Namebis(butoxymethoxy)-(2-chloroethyl)-ethylsilane
PubChem CID54319803
Molecular FormulaC14H31ClO4Si
Molecular Weight326.94 g/mol
Exact Mass326.17
IUPAC Namebis(butoxymethoxy)-(2-chloroethyl)-ethylsilane
SMILESCCCCOCO[Si](CC)(CCCl)OCOCCCC
InChIInChI=1S/C14H31ClO4Si/c1-4-7-10-16-13-18-20(6-3,12-9-15)19-14-17-11-8-5-2/h4-14H2,1-3H3
InChIKeySQUZYEHECJOYCG-UHFFFAOYSA-N
XLogP4.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane?
The IUPAC name of bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane (CID 54319803) is bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane.
What is the SMILES notation for bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane?
The canonical SMILES for bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane is CCCCOCO[Si](CC)(CCCl)OCOCCCC.
What is the InChIKey of bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane?
The InChIKey is SQUZYEHECJOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31ClO4Si/c1-4-7-10-16-13-18-20(6-3,12-9-15)19-14-17-11-8-5-2/h4-14H2,1-3H3.
What are the key properties of bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane?
bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane has a molecular weight of 326.94 g/mol, XLogP of 4.27, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane is sourced from PubChem (CID 54319803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).