[tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate

C23H46N2O4Si3 — CID 634925

IUPAC[tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C(C)(C)C)nc(O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C23H46N2O4Si3/c1-21(2,3)30(10,11)27-18-16-17(19(26)28-31(12,13)22(4,5)6)24-20(25-18)29-32(14,15)23(7,8)9/h16H,1-15H3
InChIKeyKYXHYBLGLQCYAV-UHFFFAOYSA-N
MW498.89 g/mol
LogP7.41
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate

[tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate (PubChem CID 634925) has the molecular formula C23H46N2O4Si3 and a molecular weight of 498.89 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate
PubChem CID634925
Molecular FormulaC23H46N2O4Si3
Molecular Weight498.89 g/mol
Exact Mass498.28
IUPAC Name[tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C(C)(C)C)nc(O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C23H46N2O4Si3/c1-21(2,3)30(10,11)27-18-16-17(19(26)28-31(12,13)22(4,5)6)24-20(25-18)29-32(14,15)23(7,8)9/h16H,1-15H3
InChIKeyKYXHYBLGLQCYAV-UHFFFAOYSA-N
XLogP7.41
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.89
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate (CID 634925) is [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C(C)(C)C)nc(O[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate?
The InChIKey is KYXHYBLGLQCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O4Si3/c1-21(2,3)30(10,11)27-18-16-17(19(26)28-31(12,13)22(4,5)6)24-20(25-18)29-32(14,15)23(7,8)9/h16H,1-15H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate?
[tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate has a molecular weight of 498.89 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2,6-bis[[tert-butyl(dimethyl)silyl]oxy]pyrimidine-4-carboxylate is sourced from PubChem (CID 634925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).