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

C11H22O3Si — CID 19385088

IUPAC4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCOC(=O)C1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-6-7-13-10(12)8-9/h9H,6-8H2,1-5H3
InChIKeyVGYQWSAFCCBTSH-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.71
Rot. Bonds2

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

4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one (PubChem CID 19385088) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
PubChem CID19385088
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCOC(=O)C1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-6-7-13-10(12)8-9/h9H,6-8H2,1-5H3
InChIKeyVGYQWSAFCCBTSH-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one (CID 19385088) is 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one is CC(C)(C)[Si](C)(C)OC1CCOC(=O)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
The InChIKey is VGYQWSAFCCBTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-6-7-13-10(12)8-9/h9H,6-8H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?
4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one has a molecular weight of 230.38 g/mol, XLogP of 2.71, 2 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]oxyoxan-2-one is sourced from PubChem (CID 19385088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).