trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane

C9H20O5Si — CID 87648545

IUPACtrimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane
SMILESCCCOCC1OC1[Si](OC)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-5-6-13-7-8-9(14-8)15(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyQNHKZPIMJOKGFA-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.60
Rot. Bonds8

About trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane

trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane (PubChem CID 87648545) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane
PubChem CID87648545
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Nametrimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane
SMILESCCCOCC1OC1[Si](OC)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-5-6-13-7-8-9(14-8)15(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyQNHKZPIMJOKGFA-UHFFFAOYSA-N
XLogP0.60
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.60
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
The IUPAC name of trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane (CID 87648545) is trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane.
What is the SMILES notation for trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
The canonical SMILES for trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane is CCCOCC1OC1[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
The InChIKey is QNHKZPIMJOKGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-5-6-13-7-8-9(14-8)15(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane has a molecular weight of 236.34 g/mol, XLogP of 0.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(propoxymethyl)oxiran-2-yl]silane is sourced from PubChem (CID 87648545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).