5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione

C17H18O5Si — CID 102374461

IUPAC5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione
SMILESCOc1ccc(OC)c2c1C(=O)c1coc([Si](C)(C)C)c1C2=O
InChIInChI=1S/C17H18O5Si/c1-20-10-6-7-11(21-2)14-13(10)15(18)9-8-22-17(23(3,4)5)12(9)16(14)19/h6-8H,1-5H3
InChIKeyDEBWJGCIBDMLEG-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.62
Rot. Bonds3

About 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione

5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione (PubChem CID 102374461) has the molecular formula C17H18O5Si and a molecular weight of 330.41 g/mol. Its IUPAC name is 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione.

Molecular Properties

Compound Name5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione
PubChem CID102374461
Molecular FormulaC17H18O5Si
Molecular Weight330.41 g/mol
Exact Mass330.09
IUPAC Name5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione
SMILESCOc1ccc(OC)c2c1C(=O)c1coc([Si](C)(C)C)c1C2=O
InChIInChI=1S/C17H18O5Si/c1-20-10-6-7-11(21-2)14-13(10)15(18)9-8-22-17(23(3,4)5)12(9)16(14)19/h6-8H,1-5H3
InChIKeyDEBWJGCIBDMLEG-UHFFFAOYSA-N
XLogP2.62
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde
CID 10491256
1-(dimethylamino)-4-methoxyanthracene-9,10-dione
CID 12750463
1,5-dimethoxy-4,8-dinitroanthracene-9,10-dione
CID 21413446
2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 634823
1,5-dimethoxyfluoren-9-one
CID 19594782
6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione
CID 10706275
5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione
CID 137276863
2-bromo-5,8-dimethoxy-3-methylnaphthalene-1,4-dione
CID 628531
8-hydroxy-3-(hydroxymethyl)-1,5-dimethoxyanthracene-9,10-dione
CID 95931046
5-(1-hydroxyethyl)-4-methoxy-1-methylanthracene-9,10-dione
CID 143783020
5,8-dimethoxy-2-propan-2-yl-3-sulfanylnaphthalene-1,4-dione
CID 175116593

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione?
The IUPAC name of 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione (CID 102374461) is 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione.
What is the SMILES notation for 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione?
The canonical SMILES for 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione is COc1ccc(OC)c2c1C(=O)c1coc([Si](C)(C)C)c1C2=O.
What is the InChIKey of 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione?
The InChIKey is DEBWJGCIBDMLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5Si/c1-20-10-6-7-11(21-2)14-13(10)15(18)9-8-22-17(23(3,4)5)12(9)16(14)19/h6-8H,1-5H3.
What are the key properties of 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione?
5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione has a molecular weight of 330.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione is sourced from PubChem (CID 102374461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).