trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane

C13H28O5Si — CID 67774203

IUPACtrimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane
SMILESCCC(COCCC[Si](OC)(OC)OC)C1CCO1
InChIInChI=1S/C13H28O5Si/c1-5-12(13-7-9-18-13)11-17-8-6-10-19(14-2,15-3)16-4/h12-13H,5-11H2,1-4H3
InChIKeyHBMURCLMVGIIAQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.09
Rot. Bonds11

About trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane

trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane (PubChem CID 67774203) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane
PubChem CID67774203
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Nametrimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane
SMILESCCC(COCCC[Si](OC)(OC)OC)C1CCO1
InChIInChI=1S/C13H28O5Si/c1-5-12(13-7-9-18-13)11-17-8-6-10-19(14-2,15-3)16-4/h12-13H,5-11H2,1-4H3
InChIKeyHBMURCLMVGIIAQ-UHFFFAOYSA-N
XLogP2.09
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.09
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane?
The IUPAC name of trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane (CID 67774203) is trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane?
The canonical SMILES for trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane is CCC(COCCC[Si](OC)(OC)OC)C1CCO1.
What is the InChIKey of trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane?
The InChIKey is HBMURCLMVGIIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-5-12(13-7-9-18-13)11-17-8-6-10-19(14-2,15-3)16-4/h12-13H,5-11H2,1-4H3.
What are the key properties of trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane?
trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane has a molecular weight of 292.45 g/mol, XLogP of 2.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[2-(oxetan-2-yl)butoxy]propyl]silane is sourced from PubChem (CID 67774203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).