trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate

C12H18O5SSi — CID 20758025

IUPACtrimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate
SMILESC[Si](C)(C)OC(=O)COCC1COc2cscc2O1
InChIInChI=1S/C12H18O5SSi/c1-19(2,3)17-12(13)6-14-4-9-5-15-10-7-18-8-11(10)16-9/h7-9H,4-6H2,1-3H3
InChIKeyODVSXIYJDZDXFB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.28
Rot. Bonds5

About trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate

trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate (PubChem CID 20758025) has the molecular formula C12H18O5SSi and a molecular weight of 302.42 g/mol. Its IUPAC name is trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate
PubChem CID20758025
Molecular FormulaC12H18O5SSi
Molecular Weight302.42 g/mol
Exact Mass302.06
IUPAC Nametrimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate
SMILESC[Si](C)(C)OC(=O)COCC1COc2cscc2O1
InChIInChI=1S/C12H18O5SSi/c1-19(2,3)17-12(13)6-14-4-9-5-15-10-7-18-8-11(10)16-9/h7-9H,4-6H2,1-3H3
InChIKeyODVSXIYJDZDXFB-UHFFFAOYSA-N
XLogP2.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate?
The IUPAC name of trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate (CID 20758025) is trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate.
What is the SMILES notation for trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate?
The canonical SMILES for trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate is C[Si](C)(C)OC(=O)COCC1COc2cscc2O1.
What is the InChIKey of trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate?
The InChIKey is ODVSXIYJDZDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5SSi/c1-19(2,3)17-12(13)6-14-4-9-5-15-10-7-18-8-11(10)16-9/h7-9H,4-6H2,1-3H3.
What are the key properties of trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate?
trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate has a molecular weight of 302.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate is sourced from PubChem (CID 20758025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).