tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate

C18H33NO3Si — CID 102297479

IUPACtert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate
SMILESCC(C)[Si](Oc1cccn1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H33NO3Si/c1-13(2)23(14(3)4,15(5)6)22-16-11-10-12-19(16)17(20)21-18(7,8)9/h10-15H,1-9H3
InChIKeyGWSQKGLBGODHGD-UHFFFAOYSA-N
MW339.55 g/mol
LogP5.83
Rot. Bonds5

About tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate

tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate (PubChem CID 102297479) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate
PubChem CID102297479
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Nametert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate
SMILESCC(C)[Si](Oc1cccn1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H33NO3Si/c1-13(2)23(14(3)4,15(5)6)22-16-11-10-12-19(16)17(20)21-18(7,8)9/h10-15H,1-9H3
InChIKeyGWSQKGLBGODHGD-UHFFFAOYSA-N
XLogP5.83
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.55
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate (CID 102297479) is tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate is CC(C)[Si](Oc1cccn1C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate?
The InChIKey is GWSQKGLBGODHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-13(2)23(14(3)4,15(5)6)22-16-11-10-12-19(16)17(20)21-18(7,8)9/h10-15H,1-9H3.
What are the key properties of tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate?
tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate has a molecular weight of 339.55 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tri(propan-2-yl)silyloxypyrrole-1-carboxylate is sourced from PubChem (CID 102297479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).