[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate

C11H18N2O2Si — CID 91727571

IUPAC[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cnccn1
InChIInChI=1S/C11H18N2O2Si/c1-11(2,3)16(4,5)15-10(14)9-8-12-6-7-13-9/h6-8H,1-5H3
InChIKeyQFXIZXULZUGFCH-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.64
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate

[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate (PubChem CID 91727571) has the molecular formula C11H18N2O2Si and a molecular weight of 238.36 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate
PubChem CID91727571
Molecular FormulaC11H18N2O2Si
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cnccn1
InChIInChI=1S/C11H18N2O2Si/c1-11(2,3)16(4,5)15-10(14)9-8-12-6-7-13-9/h6-8H,1-5H3
InChIKeyQFXIZXULZUGFCH-UHFFFAOYSA-N
XLogP2.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.64
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(dimethyl)silyl] pyrazine-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate (CID 91727571) is [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)c1cnccn1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate?
The InChIKey is QFXIZXULZUGFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2Si/c1-11(2,3)16(4,5)15-10(14)9-8-12-6-7-13-9/h6-8H,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate?
[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate has a molecular weight of 238.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate is sourced from PubChem (CID 91727571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).