tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate

C22H33NO3Si — CID 11531177

IUPACtert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CO[Si](C)(C)C(C)(C)C)ccc1-c1ccccc1
InChIInChI=1S/C22H33NO3Si/c1-21(2,3)26-20(24)23-18(16-25-27(7,8)22(4,5)6)14-15-19(23)17-12-10-9-11-13-17/h9-15H,16H2,1-8H3
InChIKeyBJXJMVJRZQVILR-UHFFFAOYSA-N
MW387.60 g/mol
LogP6.46
Rot. Bonds4

About tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate

tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate (PubChem CID 11531177) has the molecular formula C22H33NO3Si and a molecular weight of 387.60 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate
PubChem CID11531177
Molecular FormulaC22H33NO3Si
Molecular Weight387.60 g/mol
Exact Mass387.22
IUPAC Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CO[Si](C)(C)C(C)(C)C)ccc1-c1ccccc1
InChIInChI=1S/C22H33NO3Si/c1-21(2,3)26-20(24)23-18(16-25-27(7,8)22(4,5)6)14-15-19(23)17-12-10-9-11-13-17/h9-15H,16H2,1-8H3
InChIKeyBJXJMVJRZQVILR-UHFFFAOYSA-N
XLogP6.46
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.60
LogP ≤ 56.46
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

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate
CID 10718017
tert-butyl 2,5-bis(4-naphthalen-2-ylphenyl)pyrrole-1-carboxylate
CID 102110847
tert-butyl 2,3,5-triphenylpyrrole-1-carboxylate
CID 101458521
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
CID 44552230
tert-butyl 2-(2-methylpropyl)-5-phenyl-3-(2-phenylethynyl)pyrrole-1-carboxylate
CID 102526802
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-4-(4-phenylmethoxyphenyl)-2H-pyrrole-1-carboxylate
CID 57160145
tert-butyl 6-methyl-2-phenylindole-1-carboxylate
CID 118481717
tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
CID 164671045
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-ethoxy-2-oxoethyl)pyrazole-1-carboxylate
CID 91161411

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate (CID 11531177) is tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate is CC(C)(C)OC(=O)n1c(CO[Si](C)(C)C(C)(C)C)ccc1-c1ccccc1.
What is the InChIKey of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate?
The InChIKey is BJXJMVJRZQVILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3Si/c1-21(2,3)26-20(24)23-18(16-25-27(7,8)22(4,5)6)14-15-19(23)17-12-10-9-11-13-17/h9-15H,16H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate?
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate has a molecular weight of 387.60 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate is sourced from PubChem (CID 11531177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).