2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one

C28H30N2O2Si — CID 118733861

IUPAC2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one
SMILESCC(C)(C)[Si](OCc1cnn(Cc2ccccc2)c(=O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2O2Si/c1-28(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-22-24-19-27(31)30(29-20-24)21-23-13-7-4-8-14-23/h4-20H,21-22H2,1-3H3
InChIKeyCIWLGAVQFFAPNT-UHFFFAOYSA-N
MW454.65 g/mol
LogP4.37
Rot. Bonds7

About 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one

2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one (PubChem CID 118733861) has the molecular formula C28H30N2O2Si and a molecular weight of 454.65 g/mol. Its IUPAC name is 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one
PubChem CID118733861
Molecular FormulaC28H30N2O2Si
Molecular Weight454.65 g/mol
Exact Mass454.21
IUPAC Name2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one
SMILESCC(C)(C)[Si](OCc1cnn(Cc2ccccc2)c(=O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2O2Si/c1-28(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-22-24-19-27(31)30(29-20-24)21-23-13-7-4-8-14-23/h4-20H,21-22H2,1-3H3
InChIKeyCIWLGAVQFFAPNT-UHFFFAOYSA-N
XLogP4.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 54.37
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 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one?
The IUPAC name of 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one (CID 118733861) is 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one is CC(C)(C)[Si](OCc1cnn(Cc2ccccc2)c(=O)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one?
The InChIKey is CIWLGAVQFFAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2Si/c1-28(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-22-24-19-27(31)30(29-20-24)21-23-13-7-4-8-14-23/h4-20H,21-22H2,1-3H3.
What are the key properties of 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one?
2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one has a molecular weight of 454.65 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridazin-3-one is sourced from PubChem (CID 118733861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).