1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone

C16H22O2SeSi — CID 23649659

IUPAC1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone
SMILESCC(=O)c1cc2cc(O[Si](C)(C)C(C)(C)C)ccc2[se]1
InChIInChI=1S/C16H22O2SeSi/c1-11(17)15-10-12-9-13(7-8-14(12)19-15)18-20(5,6)16(2,3)4/h7-10H,1-6H3
InChIKeyMBWKNUKVOHYPNH-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.48
Rot. Bonds3

About 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone

1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone (PubChem CID 23649659) has the molecular formula C16H22O2SeSi and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone
PubChem CID23649659
Molecular FormulaC16H22O2SeSi
Molecular Weight353.40 g/mol
Exact Mass354.06
IUPAC Name1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone
SMILESCC(=O)c1cc2cc(O[Si](C)(C)C(C)(C)C)ccc2[se]1
InChIInChI=1S/C16H22O2SeSi/c1-11(17)15-10-12-9-13(7-8-14(12)19-15)18-20(5,6)16(2,3)4/h7-10H,1-6H3
InChIKeyMBWKNUKVOHYPNH-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.48
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-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone
CID 58047585
[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
CID 167739118
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
CID 102018179
6-[tert-butyl(dimethyl)silyl]oxychromen-2-one
CID 57384052
tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
CID 16654571
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid
CID 132820359
[tert-butyl(dimethyl)silyl] 2-amino-3-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl]propanoate
CID 91742096

Frequently Asked Questions

What is the IUPAC name of 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone?
The IUPAC name of 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone (CID 23649659) is 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone is CC(=O)c1cc2cc(O[Si](C)(C)C(C)(C)C)ccc2[se]1.
What is the InChIKey of 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone?
The InChIKey is MBWKNUKVOHYPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2SeSi/c1-11(17)15-10-12-9-13(7-8-14(12)19-15)18-20(5,6)16(2,3)4/h7-10H,1-6H3.
What are the key properties of 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone?
1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone has a molecular weight of 353.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[tert-butyl(dimethyl)silyl]oxy-1-benzoselenophen-2-yl]ethanone is sourced from PubChem (CID 23649659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).