ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate

C16H27NO3Si — CID 24807327

IUPACethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(N)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H27NO3Si/c1-7-19-15(18)12-8-9-14(17)13(10-12)11-20-21(5,6)16(2,3)4/h8-10H,7,11,17H2,1-6H3
InChIKeyIOSSUITXFGVSLE-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.97
Rot. Bonds5

About ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate

ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate (PubChem CID 24807327) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
PubChem CID24807327
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Nameethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(N)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H27NO3Si/c1-7-19-15(18)12-8-9-14(17)13(10-12)11-20-21(5,6)16(2,3)4/h8-10H,7,11,17H2,1-6H3
InChIKeyIOSSUITXFGVSLE-UHFFFAOYSA-N
XLogP3.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate
CID 19372203
ethyl 4-amino-3-(3-bromopropyl)benzoate
CID 134643213
3,4-diaminobenzoic acid;ethyl 3,4-diaminobenzoate
CID 159294295
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
CID 155655100
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate
CID 68711986
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
CID 135008103
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
ethyl 3,4-dibutylbenzoate
CID 166060053
ethyl 4-amino-3-(methylamino)benzoate
CID 67332734

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
The IUPAC name of ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate (CID 24807327) is ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate.
What is the SMILES notation for ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
The canonical SMILES for ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate is CCOC(=O)c1ccc(N)c(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
The InChIKey is IOSSUITXFGVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-7-19-15(18)12-8-9-14(17)13(10-12)11-20-21(5,6)16(2,3)4/h8-10H,7,11,17H2,1-6H3.
What are the key properties of ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate has a molecular weight of 309.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate is sourced from PubChem (CID 24807327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).