dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane

C18H26O5Si — CID 141450490

IUPACdimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(O[Si](CCCOCC1CO1)(OC)OC)c1ccccc1
InChIInChI=1S/C18H26O5Si/c1-5-18(2,16-10-7-6-8-11-16)23-24(19-3,20-4)13-9-12-21-14-17-15-22-17/h1,6-8,10-11,17H,9,12-15H2,2-4H3
InChIKeyMUFQFYWTUSKRGL-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.59
Rot. Bonds11

About dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane

dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane (PubChem CID 141450490) has the molecular formula C18H26O5Si and a molecular weight of 350.49 g/mol. Its IUPAC name is dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane.

Molecular Properties

Compound Namedimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane
PubChem CID141450490
Molecular FormulaC18H26O5Si
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Namedimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(O[Si](CCCOCC1CO1)(OC)OC)c1ccccc1
InChIInChI=1S/C18H26O5Si/c1-5-18(2,16-10-7-6-8-11-16)23-24(19-3,20-4)13-9-12-21-14-17-15-22-17/h1,6-8,10-11,17H,9,12-15H2,2-4H3
InChIKeyMUFQFYWTUSKRGL-UHFFFAOYSA-N
XLogP2.59
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane?
The IUPAC name of dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane (CID 141450490) is dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane.
What is the SMILES notation for dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane?
The canonical SMILES for dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane is C#CC(C)(O[Si](CCCOCC1CO1)(OC)OC)c1ccccc1.
What is the InChIKey of dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane?
The InChIKey is MUFQFYWTUSKRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5Si/c1-5-18(2,16-10-7-6-8-11-16)23-24(19-3,20-4)13-9-12-21-14-17-15-22-17/h1,6-8,10-11,17H,9,12-15H2,2-4H3.
What are the key properties of dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane?
dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane has a molecular weight of 350.49 g/mol, XLogP of 2.59, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane is sourced from PubChem (CID 141450490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).