tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane

C14H22N2Si — CID 10944736

IUPACtert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)CC(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H22N2Si/c1-14(2,3)17(4,5)11-13(16-15)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyIJBSCSZWUVXOSE-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane

tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane (PubChem CID 10944736) has the molecular formula C14H22N2Si and a molecular weight of 246.43 g/mol. Its IUPAC name is tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane
PubChem CID10944736
Molecular FormulaC14H22N2Si
Molecular Weight246.43 g/mol
Exact Mass246.16
IUPAC Nametert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)CC(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H22N2Si/c1-14(2,3)17(4,5)11-13(16-15)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyIJBSCSZWUVXOSE-UHFFFAOYSA-N
XLogP4.21
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
Acetophenone azine
CID 5484329
(3Z,5E)-3,6-diphenyl-4,5-diazaocta-3,5-diene
CID 5894538
(Z)-(1-phenylethylidene)hydrazine
CID 5486169
(E)-1-(4-butyltellanylphenyl)ethylidenehydrazine
CID 155566261
1-Phenylethan-1-one hydrazone
CID 5749243
(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
CID 58611152
Benzene, (1-diazopropyl)-
CID 637813
(E)-1-phenyl-N-trimethylsilyloxyethanimine
CID 5352994
alpha-Methylbenzenemethanimine
CID 11389383
Benzene, (1-diazoethyl)-
CID 11789245

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane?
The IUPAC name of tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane (CID 10944736) is tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane is CC(C)(C)[Si](C)(C)CC(=[N+]=[N-])c1ccccc1.
What is the InChIKey of tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane?
The InChIKey is IJBSCSZWUVXOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2Si/c1-14(2,3)17(4,5)11-13(16-15)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane?
tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane has a molecular weight of 246.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-diazo-2-phenylethyl)-dimethylsilane is sourced from PubChem (CID 10944736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).