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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate
CID 13130673
3-O-tert-butyl 2-O-methyl (2R,3R)-2-methyl-5-phenyl-3,4-dihydropyrrole-2,3-dicarboxylate
CID 101441182
methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11150585
tetramethyl 2,5-dimethyl-3,6-diphenylcyclohexa-2,5-diene-1,1,4,4-tetracarboxylate
CID 101226398
tert-butyl 5-oxo-4-phenyl-1,2-dihydropyrazole-3-carboxylate
CID 70080135
methyl (4R)-2-phenyl-4-prop-2-ynyl-5H-1,3-oxazole-4-carboxylate
CID 11470557
tert-butyl (4S)-4-benzyl-2-(4-methoxyphenyl)-5H-1,3-oxazole-4-carboxylate
CID 132551102
methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate
CID 71506732
CID 162139404
CID 162139404
1-O-tert-butyl 4-O-methyl 4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1,4-dicarboxylate
CID 23641173
5-O-tert-butyl 3-O,7-O-dimethyl (1R,2R,3S,4R,6R,7S)-3,7-diphenyl-5-azatricyclo[4.1.0.02,4]heptane-3,5,7-tricarboxylate
CID 71739896

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).