4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione

C11H18O4Si — CID 141298220

IUPAC4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione
SMILESCC(C)(C)[Si](C)(C)C1CC(=O)OC(=O)C1=O
InChIInChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)7-6-8(12)15-10(14)9(7)13/h7H,6H2,1-5H3
InChIKeyKHUHCJVVNQRIFD-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.91
Rot. Bonds1

About 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione

4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione (PubChem CID 141298220) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione
PubChem CID141298220
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione
SMILESCC(C)(C)[Si](C)(C)C1CC(=O)OC(=O)C1=O
InChIInChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)7-6-8(12)15-10(14)9(7)13/h7H,6H2,1-5H3
InChIKeyKHUHCJVVNQRIFD-UHFFFAOYSA-N
XLogP1.91
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione (CID 141298220) is 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione is CC(C)(C)[Si](C)(C)C1CC(=O)OC(=O)C1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione?
The InChIKey is KHUHCJVVNQRIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-11(2,3)16(4,5)7-6-8(12)15-10(14)9(7)13/h7H,6H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione?
4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione has a molecular weight of 242.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione is sourced from PubChem (CID 141298220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).