2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one

C16H22O4Si — CID 11449631

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(-c2ccco2)co1
InChIInChI=1S/C16H22O4Si/c1-16(2,3)21(4,5)20-10-12-9-14(17)13(11-19-12)15-7-6-8-18-15/h6-9,11H,10H2,1-5H3
InChIKeyWTJUNWOTKAQILN-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.42
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one (PubChem CID 11449631) has the molecular formula C16H22O4Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one
PubChem CID11449631
Molecular FormulaC16H22O4Si
Molecular Weight306.43 g/mol
Exact Mass306.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)c(-c2ccco2)co1
InChIInChI=1S/C16H22O4Si/c1-16(2,3)21(4,5)20-10-12-9-14(17)13(11-19-12)15-7-6-8-18-15/h6-9,11H,10H2,1-5H3
InChIKeyWTJUNWOTKAQILN-UHFFFAOYSA-N
XLogP4.42
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one (CID 11449631) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)c(-c2ccco2)co1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one?
The InChIKey is WTJUNWOTKAQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4Si/c1-16(2,3)21(4,5)20-10-12-9-14(17)13(11-19-12)15-7-6-8-18-15/h6-9,11H,10H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one has a molecular weight of 306.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(furan-2-yl)pyran-4-one is sourced from PubChem (CID 11449631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).