3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione

C12H22O5Si — CID 87125463

IUPAC3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCCO[Si](C)(OCC)C(CC)C1CC(=O)OC1=O
InChIInChI=1S/C12H22O5Si/c1-5-10(9-8-11(13)17-12(9)14)18(4,15-6-2)16-7-3/h9-10H,5-8H2,1-4H3
InChIKeyCEJPXUGPNLZWJH-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.00
Rot. Bonds7

About 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione

3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione (PubChem CID 87125463) has the molecular formula C12H22O5Si and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
PubChem CID87125463
Molecular FormulaC12H22O5Si
Molecular Weight274.39 g/mol
Exact Mass274.12
IUPAC Name3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
SMILESCCO[Si](C)(OCC)C(CC)C1CC(=O)OC1=O
InChIInChI=1S/C12H22O5Si/c1-5-10(9-8-11(13)17-12(9)14)18(4,15-6-2)16-7-3/h9-10H,5-8H2,1-4H3
InChIKeyCEJPXUGPNLZWJH-UHFFFAOYSA-N
XLogP2.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione (CID 87125463) is 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione is CCO[Si](C)(OCC)C(CC)C1CC(=O)OC1=O.
What is the InChIKey of 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
The InChIKey is CEJPXUGPNLZWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5Si/c1-5-10(9-8-11(13)17-12(9)14)18(4,15-6-2)16-7-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione?
3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione has a molecular weight of 274.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 87125463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).