4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate

C20H28O6Si — CID 177417685

IUPAC4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C)COC(c2ccccc2)=C1C(=O)OC(C)(C)C
InChIInChI=1S/C20H28O6Si/c1-19(2,3)25-17(21)15-16(14-11-9-8-10-12-14)24-13-20(15,18(22)23-4)26-27(5,6)7/h8-12H,13H2,1-7H3
InChIKeyYWCVOABUNOQGNG-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.53
Rot. Bonds5

About 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate

4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate (PubChem CID 177417685) has the molecular formula C20H28O6Si and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate
PubChem CID177417685
Molecular FormulaC20H28O6Si
Molecular Weight392.52 g/mol
Exact Mass392.17
IUPAC Name4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C)COC(c2ccccc2)=C1C(=O)OC(C)(C)C
InChIInChI=1S/C20H28O6Si/c1-19(2,3)25-17(21)15-16(14-11-9-8-10-12-14)24-13-20(15,18(22)23-4)26-27(5,6)7/h8-12H,13H2,1-7H3
InChIKeyYWCVOABUNOQGNG-UHFFFAOYSA-N
XLogP3.53
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate (CID 177417685) is 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate is COC(=O)C1(O[Si](C)(C)C)COC(c2ccccc2)=C1C(=O)OC(C)(C)C.
What is the InChIKey of 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate?
The InChIKey is YWCVOABUNOQGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6Si/c1-19(2,3)25-17(21)15-16(14-11-9-8-10-12-14)24-13-20(15,18(22)23-4)26-27(5,6)7/h8-12H,13H2,1-7H3.
What are the key properties of 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate?
4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate has a molecular weight of 392.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 3-O-methyl 5-phenyl-3-trimethylsilyloxy-2H-furan-3,4-dicarboxylate is sourced from PubChem (CID 177417685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).