4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione

C23H32O4Si — CID 11133141

IUPAC4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione
SMILESCC1=C([Si](C)(C)C)C(=O)OC12Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1C2=O
InChIInChI=1S/C23H32O4Si/c1-13-18(28(8,9)10)20(25)27-23(13)19(24)17-15(22(5,6)7)11-14(21(2,3)4)12-16(17)26-23/h11-12H,1-10H3
InChIKeyWIIXMLRULGVWFJ-UHFFFAOYSA-N
MW400.59 g/mol
LogP5.30
Rot. Bonds1

About 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione

4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione (PubChem CID 11133141) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione.

Molecular Properties

Compound Name4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione
PubChem CID11133141
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Name4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione
SMILESCC1=C([Si](C)(C)C)C(=O)OC12Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1C2=O
InChIInChI=1S/C23H32O4Si/c1-13-18(28(8,9)10)20(25)27-23(13)19(24)17-15(22(5,6)7)11-14(21(2,3)4)12-16(17)26-23/h11-12H,1-10H3
InChIKeyWIIXMLRULGVWFJ-UHFFFAOYSA-N
XLogP5.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione with MolForge

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Related Compounds

Mutisicoumaranone A
CID 10470095
5,6-Dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71652715
4,6,7-Trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71653032
4,6-Dimethyl-3(2H)-benzofuranone
CID 595599
6,7-Dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71652879
6-Methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71652717
4,6-Dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71653028
2-(3,7-Dimethylocta-2,6-dienyl)-2-hydroxy-4-methyl-1-benzofuran-3-one
CID 85152112
6-Propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71652565
6-Ethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71652876
4,7-Dimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71653029
4,5,6-Trimethylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
CID 71653031

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione?
The IUPAC name of 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione (CID 11133141) is 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione.
What is the SMILES notation for 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione?
The canonical SMILES for 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione is CC1=C([Si](C)(C)C)C(=O)OC12Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1C2=O.
What is the InChIKey of 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione?
The InChIKey is WIIXMLRULGVWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-13-18(28(8,9)10)20(25)27-23(13)19(24)17-15(22(5,6)7)11-14(21(2,3)4)12-16(17)26-23/h11-12H,1-10H3.
What are the key properties of 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione?
4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione has a molecular weight of 400.59 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-4'-methyl-3'-trimethylsilylspiro[1-benzofuran-2,5'-furan]-2',3-dione is sourced from PubChem (CID 11133141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).