5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one

C11H22O3Si — CID 18974857

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)CO1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-8-10-6-9(12)7-13-10/h10H,6-8H2,1-5H3
InChIKeyPIBWUZKQGVTFAV-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.37
Rot. Bonds3

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one

5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one (PubChem CID 18974857) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one
PubChem CID18974857
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)CO1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-8-10-6-9(12)7-13-10/h10H,6-8H2,1-5H3
InChIKeyPIBWUZKQGVTFAV-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one (CID 18974857) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one is CC(C)(C)[Si](C)(C)OCC1CC(=O)CO1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one?
The InChIKey is PIBWUZKQGVTFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-8-10-6-9(12)7-13-10/h10H,6-8H2,1-5H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one has a molecular weight of 230.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one is sourced from PubChem (CID 18974857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).