1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone

C13H20O2Si — CID 10776226

IUPAC1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
SMILESCC(=O)C1CC=C2COCC2=C1[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-9(14)11-6-5-10-7-15-8-12(10)13(11)16(2,3)4/h5,11H,6-8H2,1-4H3
InChIKeyMNLSMAKZLHBEKX-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.73
Rot. Bonds2

About 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone

1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone (PubChem CID 10776226) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
PubChem CID10776226
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
SMILESCC(=O)C1CC=C2COCC2=C1[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-9(14)11-6-5-10-7-15-8-12(10)13(11)16(2,3)4/h5,11H,6-8H2,1-4H3
InChIKeyMNLSMAKZLHBEKX-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Ethyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
CID 10607774
Trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane
CID 11009157
1-(1,3,5,6-Tetrahydro-2-benzofuran-5-yl)ethanone
CID 11137471

Frequently Asked Questions

What is the IUPAC name of 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone (CID 10776226) is 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone is CC(=O)C1CC=C2COCC2=C1[Si](C)(C)C.
What is the InChIKey of 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
The InChIKey is MNLSMAKZLHBEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-9(14)11-6-5-10-7-15-8-12(10)13(11)16(2,3)4/h5,11H,6-8H2,1-4H3.
What are the key properties of 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone has a molecular weight of 236.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone is sourced from PubChem (CID 10776226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).