2-(2-diazoacetyl)oxyethyl 2-diazoacetate

C6H6N4O4 — CID 102499938

IUPAC2-(2-diazoacetyl)oxyethyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCCOC(=O)C=[N+]=[N-]
InChIInChI=1S/C6H6N4O4/c7-9-3-5(11)13-1-2-14-6(12)4-10-8/h3-4H,1-2H2
InChIKeyUYDDXKHDHUVGRK-UHFFFAOYSA-N
MW198.14 g/mol
LogP-1.33
Rot. Bonds5

About 2-(2-diazoacetyl)oxyethyl 2-diazoacetate

2-(2-diazoacetyl)oxyethyl 2-diazoacetate (PubChem CID 102499938) has the molecular formula C6H6N4O4 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2-(2-diazoacetyl)oxyethyl 2-diazoacetate.

Molecular Properties

Compound Name2-(2-diazoacetyl)oxyethyl 2-diazoacetate
PubChem CID102499938
Molecular FormulaC6H6N4O4
Molecular Weight198.14 g/mol
Exact Mass198.04
IUPAC Name2-(2-diazoacetyl)oxyethyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCCOC(=O)C=[N+]=[N-]
InChIInChI=1S/C6H6N4O4/c7-9-3-5(11)13-1-2-14-6(12)4-10-8/h3-4H,1-2H2
InChIKeyUYDDXKHDHUVGRK-UHFFFAOYSA-N
XLogP-1.33
TPSA125.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

2-(2-aminooxyethoxy)ethyl 2-diazoacetate
CID 102015965
2-trimethylsilylethyl 2-diazoacetate
CID 123321469
2-(2-diazoacetyl)oxyethyl-trimethylazanium bromide
CID 71436825
2,2,2-trichloroethyl 2-diazoacetate
CID 71400363
[(2E,4E)-6-(2-diazoacetyl)oxyhexa-2,4-dienyl] 2-diazoacetate
CID 101372875
ethanol;ethyl 2-diazoacetate
CID 161468576
2-[2-[[2-[2-[2-(2-diazoacetyl)oxyethoxy]ethoxymethyl]cyclohexyl]methoxy]ethoxy]ethyl 2-diazoacetate
CID 122212646
(3-oxo-3-phenylpropyl) 2-diazoacetate
CID 158194647
2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate
CID 132528499
2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate
CID 101049735
(2-diazoacetyl) 3-oxobutanoate
CID 174688795
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495

Frequently Asked Questions

What is the IUPAC name of 2-(2-diazoacetyl)oxyethyl 2-diazoacetate?
The IUPAC name of 2-(2-diazoacetyl)oxyethyl 2-diazoacetate (CID 102499938) is 2-(2-diazoacetyl)oxyethyl 2-diazoacetate.
What is the SMILES notation for 2-(2-diazoacetyl)oxyethyl 2-diazoacetate?
The canonical SMILES for 2-(2-diazoacetyl)oxyethyl 2-diazoacetate is [N-]=[N+]=CC(=O)OCCOC(=O)C=[N+]=[N-].
What is the InChIKey of 2-(2-diazoacetyl)oxyethyl 2-diazoacetate?
The InChIKey is UYDDXKHDHUVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O4/c7-9-3-5(11)13-1-2-14-6(12)4-10-8/h3-4H,1-2H2.
What are the key properties of 2-(2-diazoacetyl)oxyethyl 2-diazoacetate?
2-(2-diazoacetyl)oxyethyl 2-diazoacetate has a molecular weight of 198.14 g/mol, XLogP of -1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diazoacetyl)oxyethyl 2-diazoacetate is sourced from PubChem (CID 102499938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).