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

C11H20O3Si — CID 87591098

IUPAC4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione
SMILESCC(C)(C)[Si](C)(C)C1CC(=O)OC(=O)C1
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)8-6-9(12)14-10(13)7-8/h8H,6-7H2,1-5H3
InChIKeyKKDZABMMDHHGGT-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.73
Rot. Bonds1

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

4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione (PubChem CID 87591098) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione
PubChem CID87591098
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione
SMILESCC(C)(C)[Si](C)(C)C1CC(=O)OC(=O)C1
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)8-6-9(12)14-10(13)7-8/h8H,6-7H2,1-5H3
InChIKeyKKDZABMMDHHGGT-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione (CID 87591098) is 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione is CC(C)(C)[Si](C)(C)C1CC(=O)OC(=O)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione?
The InChIKey is KKDZABMMDHHGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)8-6-9(12)14-10(13)7-8/h8H,6-7H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione?
4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione has a molecular weight of 228.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione is sourced from PubChem (CID 87591098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).