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'}

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

Curzerenone
CID 3081930
4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, (5R,6S)-
CID 5315433
2,6,6-Trimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one
CID 1473345
2-Methylnaphtho[1,2-b]furan-4,5-dione
CID 611379
Norpinguisone
CID 14164939
(5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
CID 10376566
4,5,6,7-Tetrahydro-1-benzofuran-4-one
CID 2733541
(R)-3,5,8a-Trimethyl-7,8,8a,9-tetrahydronaphtho[2,3-b]furan-4(6H)-one
CID 91711266
Evodone
CID 442471
6,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 1523226
2-Methyl-7-propan-2-ylbenzo[g][1]benzofuran-4,5-dione
CID 164625488
2-Phenyl-6-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran
CID 73477

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).