6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one

C16H22O4Si — CID 59794616

IUPAC6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
SMILESC=Cc1c(O)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2
InChIInChI=1S/C16H22O4Si/c1-6-11-14(17)10(2)12-9-20-16(18)13(12)15(11)19-7-8-21(3,4)5/h6,17H,1,7-9H2,2-5H3
InChIKeyVPKOKNAKUOSNTH-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.73
Rot. Bonds5

About 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one

6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one (PubChem CID 59794616) has the molecular formula C16H22O4Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
PubChem CID59794616
Molecular FormulaC16H22O4Si
Molecular Weight306.43 g/mol
Exact Mass306.13
IUPAC Name6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
SMILESC=Cc1c(O)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2
InChIInChI=1S/C16H22O4Si/c1-6-11-14(17)10(2)12-9-20-16(18)13(12)15(11)19-7-8-21(3,4)5/h6,17H,1,7-9H2,2-5H3
InChIKeyVPKOKNAKUOSNTH-UHFFFAOYSA-N
XLogP3.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one?
The IUPAC name of 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one (CID 59794616) is 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one?
The canonical SMILES for 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one is C=Cc1c(O)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2.
What is the InChIKey of 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one?
The InChIKey is VPKOKNAKUOSNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4Si/c1-6-11-14(17)10(2)12-9-20-16(18)13(12)15(11)19-7-8-21(3,4)5/h6,17H,1,7-9H2,2-5H3.
What are the key properties of 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one?
6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one has a molecular weight of 306.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one is sourced from PubChem (CID 59794616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).