5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one

C14H24O5Si — CID 23077529

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one
SMILESCOCOCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C14H24O5Si/c1-14(2,3)20(5,6)19-13-9-18-11(7-12(13)15)8-17-10-16-4/h7,9H,8,10H2,1-6H3
InChIKeyZWYKNFUAFXCMQT-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.14
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one

5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one (PubChem CID 23077529) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one
PubChem CID23077529
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one
SMILESCOCOCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C14H24O5Si/c1-14(2,3)20(5,6)19-13-9-18-11(7-12(13)15)8-17-10-16-4/h7,9H,8,10H2,1-6H3
InChIKeyZWYKNFUAFXCMQT-UHFFFAOYSA-N
XLogP3.14
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-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 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one (CID 23077529) is 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one is COCOCc1cc(=O)c(O[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one?
The InChIKey is ZWYKNFUAFXCMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-14(2,3)20(5,6)19-13-9-18-11(7-12(13)15)8-17-10-16-4/h7,9H,8,10H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one?
5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one has a molecular weight of 300.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxymethyl)pyran-4-one is sourced from PubChem (CID 23077529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).