tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane

C21H44O11Si — CID 53427868

IUPACtris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCOCCOCCO[Si](CCCOCC1CO1)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C21H44O11Si/c1-22-6-9-25-12-15-30-33(31-16-13-26-10-7-23-2,32-17-14-27-11-8-24-3)18-4-5-28-19-21-20-29-21/h21H,4-20H2,1-3H3
InChIKeyBAPRPWHVXHPSHD-UHFFFAOYSA-N
MW500.66 g/mol
LogP0.77
Rot. Bonds27

About tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane

tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 53427868) has the molecular formula C21H44O11Si and a molecular weight of 500.66 g/mol. Its IUPAC name is tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Nametris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID53427868
Molecular FormulaC21H44O11Si
Molecular Weight500.66 g/mol
Exact Mass500.27
IUPAC Nametris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCOCCOCCO[Si](CCCOCC1CO1)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C21H44O11Si/c1-22-6-9-25-12-15-30-33(31-16-13-26-10-7-23-2,32-17-14-27-11-8-24-3)18-4-5-28-19-21-20-29-21/h21H,4-20H2,1-3H3
InChIKeyBAPRPWHVXHPSHD-UHFFFAOYSA-N
XLogP0.77
TPSA104.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 53427868) is tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane is COCCOCCO[Si](CCCOCC1CO1)(OCCOCCOC)OCCOCCOC.
What is the InChIKey of tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is BAPRPWHVXHPSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O11Si/c1-22-6-9-25-12-15-30-33(31-16-13-26-10-7-23-2,32-17-14-27-11-8-24-3)18-4-5-28-19-21-20-29-21/h21H,4-20H2,1-3H3.
What are the key properties of tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 500.66 g/mol, XLogP of 0.77, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2-methoxyethoxy)ethoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 53427868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).