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

C13H24O5Si — CID 87645636

IUPAC3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione
SMILESCCCC(C1CC(=O)OC1=O)[Si](C)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-5-8-11(10-9-12(14)18-13(10)15)19(4,16-6-2)17-7-3/h10-11H,5-9H2,1-4H3
InChIKeyGKOCRRUTHRWMAP-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.39
Rot. Bonds8

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

3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione (PubChem CID 87645636) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione
PubChem CID87645636
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione
SMILESCCCC(C1CC(=O)OC1=O)[Si](C)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-5-8-11(10-9-12(14)18-13(10)15)19(4,16-6-2)17-7-3/h10-11H,5-9H2,1-4H3
InChIKeyGKOCRRUTHRWMAP-UHFFFAOYSA-N
XLogP2.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.39
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]butyl]oxolane-2,5-dione?
The IUPAC name of 3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione (CID 87645636) is 3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione?
The canonical SMILES for 3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione is CCCC(C1CC(=O)OC1=O)[Si](C)(OCC)OCC.
What is the InChIKey of 3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione?
The InChIKey is GKOCRRUTHRWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-5-8-11(10-9-12(14)18-13(10)15)19(4,16-6-2)17-7-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione?
3-[1-[diethoxy(methyl)silyl]butyl]oxolane-2,5-dione has a molecular weight of 288.42 g/mol, XLogP of 2.39, 8 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]butyl]oxolane-2,5-dione is sourced from PubChem (CID 87645636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).