tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate

C10H19N3O4 — CID 21348398

IUPACtert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCN=[N+]=[N-]
InChIInChI=1S/C10H19N3O4/c1-10(2,3)17-9(14)8-16-7-6-15-5-4-12-13-11/h4-8H2,1-3H3
InChIKeyVVSLXAHQRLHPKS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.67
Rot. Bonds8

About tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate

tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate (PubChem CID 21348398) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate
PubChem CID21348398
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nametert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCN=[N+]=[N-]
InChIInChI=1S/C10H19N3O4/c1-10(2,3)17-9(14)8-16-7-6-15-5-4-12-13-11/h4-8H2,1-3H3
InChIKeyVVSLXAHQRLHPKS-UHFFFAOYSA-N
XLogP1.67
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate (CID 21348398) is tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCN=[N+]=[N-].
What is the InChIKey of tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
The InChIKey is VVSLXAHQRLHPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,3)17-9(14)8-16-7-6-15-5-4-12-13-11/h4-8H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate has a molecular weight of 245.28 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-azidoethoxy)ethoxy]acetate is sourced from PubChem (CID 21348398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).