dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate

C14H24O6Si — CID 11099128

IUPACdimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(O[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C14H24O6Si/c1-13(2)9(11(15)17-4)10(12(16)18-5)14(3,19-13)20-21(6,7)8/h1-8H3
InChIKeyYMDCACUYOAUYJG-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.01
Rot. Bonds4

About dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate

dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate (PubChem CID 11099128) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate
PubChem CID11099128
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Namedimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(O[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C14H24O6Si/c1-13(2)9(11(15)17-4)10(12(16)18-5)14(3,19-13)20-21(6,7)8/h1-8H3
InChIKeyYMDCACUYOAUYJG-UHFFFAOYSA-N
XLogP2.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,2,4-trimethyl-5-oxofuran-3-carboxylate
CID 21484377
CID 145807242
CID 145807242
Methyl 2-(3,4-dimethyl-5-oxo-2-trimethylsilyloxyfuran-2-yl)-2-methylpropanoate
CID 46910367

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate?
The IUPAC name of dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate (CID 11099128) is dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(C)(O[Si](C)(C)C)OC1(C)C.
What is the InChIKey of dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate?
The InChIKey is YMDCACUYOAUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-13(2)9(11(15)17-4)10(12(16)18-5)14(3,19-13)20-21(6,7)8/h1-8H3.
What are the key properties of dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate?
dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate has a molecular weight of 316.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2,5-trimethyl-5-trimethylsilyloxyfuran-3,4-dicarboxylate is sourced from PubChem (CID 11099128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).