6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one

C12H18O2Si — CID 117070686

IUPAC6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCC1CC(=O)c2cc([Si](C)(C)C)oc2C1
InChIInChI=1S/C12H18O2Si/c1-8-5-10(13)9-7-12(15(2,3)4)14-11(9)6-8/h7-8H,5-6H2,1-4H3
InChIKeyYXGRYCNLTBDNHX-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.59
Rot. Bonds1

About 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one

6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 117070686) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID117070686
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCC1CC(=O)c2cc([Si](C)(C)C)oc2C1
InChIInChI=1S/C12H18O2Si/c1-8-5-10(13)9-7-12(15(2,3)4)14-11(9)6-8/h7-8H,5-6H2,1-4H3
InChIKeyYXGRYCNLTBDNHX-UHFFFAOYSA-N
XLogP2.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 117070686) is 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one is CC1CC(=O)c2cc([Si](C)(C)C)oc2C1.
What is the InChIKey of 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is YXGRYCNLTBDNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-8-5-10(13)9-7-12(15(2,3)4)14-11(9)6-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one?
6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 222.36 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 117070686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).