ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate

C32H39NO4Si — CID 69265121

IUPACethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc12
InChIInChI=1S/C32H39NO4Si/c1-5-35-30(34)33-22-20-32(21-23-33)28-19-13-12-18-27(28)29(37-32)24-36-38(31(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-19,29H,5,20-24H2,1-4H3
InChIKeyLPCSICMZUAUMMF-UHFFFAOYSA-N
MW529.75 g/mol
LogP5.78
Rot. Bonds6

About ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate

ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate (PubChem CID 69265121) has the molecular formula C32H39NO4Si and a molecular weight of 529.75 g/mol. Its IUPAC name is ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
PubChem CID69265121
Molecular FormulaC32H39NO4Si
Molecular Weight529.75 g/mol
Exact Mass529.26
IUPAC Nameethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc12
InChIInChI=1S/C32H39NO4Si/c1-5-35-30(34)33-22-20-32(21-23-33)28-19-13-12-18-27(28)29(37-32)24-36-38(31(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-19,29H,5,20-24H2,1-4H3
InChIKeyLPCSICMZUAUMMF-UHFFFAOYSA-N
XLogP5.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.75
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 91666200
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
ethyl (1S,3S,4S,5S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 101336180
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406
2-O-ethoxycarbonyl 1-O-methyl (2R,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpiperidine-1,2-dicarboxylate
CID 11261404
ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorocyclopropane-1-carboxylate
CID 174055534
4-O-tert-butyl 2-O-ethyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-2,4-dicarboxylate
CID 140876036
ethyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate
CID 102120982
1-tert-butylspiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90970065
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate (CID 69265121) is ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)OC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc12.
What is the InChIKey of ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
The InChIKey is LPCSICMZUAUMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO4Si/c1-5-35-30(34)33-22-20-32(21-23-33)28-19-13-12-18-27(28)29(37-32)24-36-38(31(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-19,29H,5,20-24H2,1-4H3.
What are the key properties of ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate?
ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate has a molecular weight of 529.75 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 69265121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).