ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate

C19H38N2O2Sn — CID 71443621

IUPACethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate
SMILESCCOC(=O)C(=[N+]=[N-])[Sn](CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/3C5H11.C4H5N2O2.Sn/c3*1-5(2,3)4;1-2-8-4(7)3-6-5;/h3*1H2,2-4H3;2H2,1H3;
InChIKeyOVKFSSYXLVLCKP-UHFFFAOYSA-N
MW445.24 g/mol
LogP5.35
Rot. Bonds6

About ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate

ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate (PubChem CID 71443621) has the molecular formula C19H38N2O2Sn and a molecular weight of 445.24 g/mol. Its IUPAC name is ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate.

Molecular Properties

Compound Nameethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate
PubChem CID71443621
Molecular FormulaC19H38N2O2Sn
Molecular Weight445.24 g/mol
Exact Mass446.20
IUPAC Nameethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate
SMILESCCOC(=O)C(=[N+]=[N-])[Sn](CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/3C5H11.C4H5N2O2.Sn/c3*1-5(2,3)4;1-2-8-4(7)3-6-5;/h3*1H2,2-4H3;2H2,1H3;
InChIKeyOVKFSSYXLVLCKP-UHFFFAOYSA-N
XLogP5.35
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.24
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate?
The IUPAC name of ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate (CID 71443621) is ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate.
What is the SMILES notation for ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate?
The canonical SMILES for ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate is CCOC(=O)C(=[N+]=[N-])[Sn](CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate?
The InChIKey is OVKFSSYXLVLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11.C4H5N2O2.Sn/c3*1-5(2,3)4;1-2-8-4(7)3-6-5;/h3*1H2,2-4H3;2H2,1H3;.
What are the key properties of ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate?
ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate has a molecular weight of 445.24 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate is sourced from PubChem (CID 71443621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).