3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione

C12H22O5Si — CID 23116723

IUPAC3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCCO[Si](C)(CCCC1CC(=O)OC1=O)OCC
InChIInChI=1S/C12H22O5Si/c1-4-15-18(3,16-5-2)8-6-7-10-9-11(13)17-12(10)14/h10H,4-9H2,1-3H3
InChIKeyRMSIYQPGLJEZLW-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.00
Rot. Bonds8

About 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione

3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione (PubChem CID 23116723) has the molecular formula C12H22O5Si and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
PubChem CID23116723
Molecular FormulaC12H22O5Si
Molecular Weight274.39 g/mol
Exact Mass274.12
IUPAC Name3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCCO[Si](C)(CCCC1CC(=O)OC1=O)OCC
InChIInChI=1S/C12H22O5Si/c1-4-15-18(3,16-5-2)8-6-7-10-9-11(13)17-12(10)14/h10H,4-9H2,1-3H3
InChIKeyRMSIYQPGLJEZLW-UHFFFAOYSA-N
XLogP2.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione (CID 23116723) is 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione is CCO[Si](C)(CCCC1CC(=O)OC1=O)OCC.
What is the InChIKey of 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The InChIKey is RMSIYQPGLJEZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5Si/c1-4-15-18(3,16-5-2)8-6-7-10-9-11(13)17-12(10)14/h10H,4-9H2,1-3H3.
What are the key properties of 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione has a molecular weight of 274.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 23116723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).