tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane

C20H42O9Si — CID 87934278

IUPACtris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane
SMILESC=CCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C20H42O9Si/c1-5-6-7-20-30(27-17-14-24-11-8-21-2,28-18-15-25-12-9-22-3)29-19-16-26-13-10-23-4/h5H,1,6-20H2,2-4H3
InChIKeyKANIWCCXDCWYIZ-UHFFFAOYSA-N
MW454.63 g/mol
LogP1.93
Rot. Bonds25

About tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane

tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane (PubChem CID 87934278) has the molecular formula C20H42O9Si and a molecular weight of 454.63 g/mol. Its IUPAC name is tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane.

Molecular Properties

Compound Nametris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane
PubChem CID87934278
Molecular FormulaC20H42O9Si
Molecular Weight454.63 g/mol
Exact Mass454.26
IUPAC Nametris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane
SMILESC=CCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C20H42O9Si/c1-5-6-7-20-30(27-17-14-24-11-8-21-2,28-18-15-25-12-9-22-3)29-19-16-26-13-10-23-4/h5H,1,6-20H2,2-4H3
InChIKeyKANIWCCXDCWYIZ-UHFFFAOYSA-N
XLogP1.93
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.63
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane?
The IUPAC name of tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane (CID 87934278) is tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane.
What is the SMILES notation for tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane?
The canonical SMILES for tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane is C=CCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC.
What is the InChIKey of tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane?
The InChIKey is KANIWCCXDCWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O9Si/c1-5-6-7-20-30(27-17-14-24-11-8-21-2,28-18-15-25-12-9-22-3)29-19-16-26-13-10-23-4/h5H,1,6-20H2,2-4H3.
What are the key properties of tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane?
tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane has a molecular weight of 454.63 g/mol, XLogP of 1.93, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane is sourced from PubChem (CID 87934278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).