1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone

C16H22O3Si — CID 137330480

IUPAC1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone
SMILESCC(=O)c1coc2cc(CO[SiH](C)C(C)(C)C)ccc12
InChIInChI=1S/C16H22O3Si/c1-11(17)14-10-18-15-8-12(6-7-13(14)15)9-19-20(5)16(2,3)4/h6-8,10,20H,9H2,1-5H3
InChIKeyIPLNBSAJXRTFPL-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.31
Rot. Bonds4

About 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone

1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone (PubChem CID 137330480) has the molecular formula C16H22O3Si and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone
PubChem CID137330480
Molecular FormulaC16H22O3Si
Molecular Weight290.44 g/mol
Exact Mass290.13
IUPAC Name1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone
SMILESCC(=O)c1coc2cc(CO[SiH](C)C(C)(C)C)ccc12
InChIInChI=1S/C16H22O3Si/c1-11(17)14-10-18-15-8-12(6-7-13(14)15)9-19-20(5)16(2,3)4/h6-8,10,20H,9H2,1-5H3
InChIKeyIPLNBSAJXRTFPL-UHFFFAOYSA-N
XLogP4.31
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
CID 155207613
6-ethyl-1-benzofuran-3-carboxylic acid
CID 155722437
1-(5-tert-butyl-1-benzofuran-3-yl)ethanone
CID 167542802
tert-butyl 6-methoxy-1-benzofuran-3-carboxylate
CID 102421543
tert-butyl 4-[(3-ethoxycarbonyl-1-benzofuran-6-yl)methyl]piperidine-1-carboxylate
CID 177363519
N-ethyl-6-hydroxy-1-benzofuran-3-carboxamide
CID 134334070
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate
CID 156699510
6-ethyl-3-methyl-1-benzofuran
CID 45122551
tert-butyl 3-(1-benzofuran-3-yl)-3-oxopropanoate
CID 22925275
6-(chloromethyl)-3-methyl-1-benzofuran
CID 170914014
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone?
The IUPAC name of 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone (CID 137330480) is 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone.
What is the SMILES notation for 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone?
The canonical SMILES for 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone is CC(=O)c1coc2cc(CO[SiH](C)C(C)(C)C)ccc12.
What is the InChIKey of 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone?
The InChIKey is IPLNBSAJXRTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3Si/c1-11(17)14-10-18-15-8-12(6-7-13(14)15)9-19-20(5)16(2,3)4/h6-8,10,20H,9H2,1-5H3.
What are the key properties of 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone?
1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone has a molecular weight of 290.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone is sourced from PubChem (CID 137330480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).