4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one

C10H20O3Si — CID 11424481

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)O1
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)12-7-8-6-9(11)13-8/h8H,6-7H2,1-5H3
InChIKeyILZULEZGLISUPE-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.32
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one (PubChem CID 11424481) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one
PubChem CID11424481
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)O1
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)12-7-8-6-9(11)13-8/h8H,6-7H2,1-5H3
InChIKeyILZULEZGLISUPE-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', '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]oxymethyl]oxetan-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one (CID 11424481) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one is CC(C)(C)[Si](C)(C)OCC1CC(=O)O1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one?
The InChIKey is ILZULEZGLISUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)12-7-8-6-9(11)13-8/h8H,6-7H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one has a molecular weight of 216.35 g/mol, XLogP of 2.32, 3 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]oxymethyl]oxetan-2-one is sourced from PubChem (CID 11424481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).