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

C22H43NO4Si2 — CID 10718017

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CO[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO4Si2/c1-20(2,3)26-19(24)23-17(16-25-28(10,11)21(4,5)6)14-15-18(23)27-29(12,13)22(7,8)9/h14-15H,16H2,1-13H3
InChIKeyMBJGTLMHWWTSHN-UHFFFAOYSA-N
MW441.76 g/mol
LogP7.18
Rot. Bonds5

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

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate (PubChem CID 10718017) has the molecular formula C22H43NO4Si2 and a molecular weight of 441.76 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate
PubChem CID10718017
Molecular FormulaC22H43NO4Si2
Molecular Weight441.76 g/mol
Exact Mass441.27
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CO[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO4Si2/c1-20(2,3)26-19(24)23-17(16-25-28(10,11)21(4,5)6)14-15-18(23)27-29(12,13)22(7,8)9/h14-15H,16H2,1-13H3
InChIKeyMBJGTLMHWWTSHN-UHFFFAOYSA-N
XLogP7.18
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.76
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]oxymethyl]-5-phenylpyrrole-1-carboxylate
CID 11531177
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-ethoxy-2-oxoethyl)pyrazole-1-carboxylate
CID 91161411
tert-butyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3-chlorophenyl)methyl]indole-1-carboxylate
CID 46201469
tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
CID 164671045
ditert-butyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]propanedioate
CID 123651815
tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
CID 16654571
tert-butyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-oxopyridazine-1-carboxylate
CID 59336045
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate
CID 15169099
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-methylphenyl)aziridine-1-carboxylate
CID 58488231
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole-1-carboxylate
CID 131748095

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate (CID 10718017) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate is CC(C)(C)OC(=O)n1c(CO[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate?
The InChIKey is MBJGTLMHWWTSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4Si2/c1-20(2,3)26-19(24)23-17(16-25-28(10,11)21(4,5)6)14-15-18(23)27-29(12,13)22(7,8)9/h14-15H,16H2,1-13H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate has a molecular weight of 441.76 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrole-1-carboxylate is sourced from PubChem (CID 10718017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).