2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one

C21H24O3Si — CID 13459971

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](OCC1C=CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O3Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-15,17H,16H2,1-3H3
InChIKeyVXTQWNKHHWYJRP-UHFFFAOYSA-N
MW352.51 g/mol
LogP3.04
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one (PubChem CID 13459971) has the molecular formula C21H24O3Si and a molecular weight of 352.51 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one
PubChem CID13459971
Molecular FormulaC21H24O3Si
Molecular Weight352.51 g/mol
Exact Mass352.15
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](OCC1C=CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O3Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-15,17H,16H2,1-3H3
InChIKeyVXTQWNKHHWYJRP-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 53.04
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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one (CID 13459971) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one is CC(C)(C)[Si](OCC1C=CC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one?
The InChIKey is VXTQWNKHHWYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-15,17H,16H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one has a molecular weight of 352.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one is sourced from PubChem (CID 13459971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).