benzyl 2-diazo-3-trimethylsilyloxybutanoate

C14H20N2O3Si — CID 56986069

IUPACbenzyl 2-diazo-3-trimethylsilyloxybutanoate
SMILESCC(O[Si](C)(C)C)C(=[N+]=[N-])C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3Si/c1-11(19-20(2,3)4)13(16-15)14(17)18-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyUOXYPMRWLMRNED-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.64
Rot. Bonds6

About benzyl 2-diazo-3-trimethylsilyloxybutanoate

benzyl 2-diazo-3-trimethylsilyloxybutanoate (PubChem CID 56986069) has the molecular formula C14H20N2O3Si and a molecular weight of 292.41 g/mol. Its IUPAC name is benzyl 2-diazo-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namebenzyl 2-diazo-3-trimethylsilyloxybutanoate
PubChem CID56986069
Molecular FormulaC14H20N2O3Si
Molecular Weight292.41 g/mol
Exact Mass292.12
IUPAC Namebenzyl 2-diazo-3-trimethylsilyloxybutanoate
SMILESCC(O[Si](C)(C)C)C(=[N+]=[N-])C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3Si/c1-11(19-20(2,3)4)13(16-15)14(17)18-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyUOXYPMRWLMRNED-UHFFFAOYSA-N
XLogP2.64
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-diazo-3-trimethylsilyloxybutanoate?
The IUPAC name of benzyl 2-diazo-3-trimethylsilyloxybutanoate (CID 56986069) is benzyl 2-diazo-3-trimethylsilyloxybutanoate.
What is the SMILES notation for benzyl 2-diazo-3-trimethylsilyloxybutanoate?
The canonical SMILES for benzyl 2-diazo-3-trimethylsilyloxybutanoate is CC(O[Si](C)(C)C)C(=[N+]=[N-])C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-diazo-3-trimethylsilyloxybutanoate?
The InChIKey is UOXYPMRWLMRNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3Si/c1-11(19-20(2,3)4)13(16-15)14(17)18-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3.
What are the key properties of benzyl 2-diazo-3-trimethylsilyloxybutanoate?
benzyl 2-diazo-3-trimethylsilyloxybutanoate has a molecular weight of 292.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-diazo-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 56986069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).