2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone

C12H24O2Si — CID 59254752

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C1CCC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-11(13)10-7-6-8-10/h10H,6-9H2,1-5H3
InChIKeyAGAHWMRWVPNFSS-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.38
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone

2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone (PubChem CID 59254752) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone
PubChem CID59254752
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C1CCC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-11(13)10-7-6-8-10/h10H,6-9H2,1-5H3
InChIKeyAGAHWMRWVPNFSS-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone 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 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone (CID 59254752) is 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone is CC(C)(C)[Si](C)(C)OCC(=O)C1CCC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone?
The InChIKey is AGAHWMRWVPNFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-11(13)10-7-6-8-10/h10H,6-9H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone has a molecular weight of 228.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-cyclobutylethanone is sourced from PubChem (CID 59254752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).