tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane

C18H32O5Si — CID 139934613

IUPACtris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC=CO[Si](CCCOCC1CO1)(OC=CCC)OC=CCC
InChIInChI=1S/C18H32O5Si/c1-4-7-12-21-24(22-13-8-5-2,23-14-9-6-3)15-10-11-19-16-18-17-20-18/h7-9,12-14,18H,4-6,10-11,15-17H2,1-3H3
InChIKeyCHQXAYUNSWYKAR-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.55
Rot. Bonds15

About tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane

tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 139934613) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Nametris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID139934613
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Nametris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC=CO[Si](CCCOCC1CO1)(OC=CCC)OC=CCC
InChIInChI=1S/C18H32O5Si/c1-4-7-12-21-24(22-13-8-5-2,23-14-9-6-3)15-10-11-19-16-18-17-20-18/h7-9,12-14,18H,4-6,10-11,15-17H2,1-3H3
InChIKeyCHQXAYUNSWYKAR-UHFFFAOYSA-N
XLogP4.55
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 139934613) is tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane is CCC=CO[Si](CCCOCC1CO1)(OC=CCC)OC=CCC.
What is the InChIKey of tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is CHQXAYUNSWYKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-4-7-12-21-24(22-13-8-5-2,23-14-9-6-3)15-10-11-19-16-18-17-20-18/h7-9,12-14,18H,4-6,10-11,15-17H2,1-3H3.
What are the key properties of tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 356.54 g/mol, XLogP of 4.55, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(but-1-enoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 139934613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).