tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate

C11H22BrNO4 — CID 130301243

IUPACtert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate
SMILESCCN(OCCOCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22BrNO4/c1-5-13(10(14)17-11(2,3)4)16-9-8-15-7-6-12/h5-9H2,1-4H3
InChIKeyOLRAHCQEXZXFES-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.59
Rot. Bonds7

About tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate

tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate (PubChem CID 130301243) has the molecular formula C11H22BrNO4 and a molecular weight of 312.20 g/mol. Its IUPAC name is tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate
PubChem CID130301243
Molecular FormulaC11H22BrNO4
Molecular Weight312.20 g/mol
Exact Mass311.07
IUPAC Nametert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate
SMILESCCN(OCCOCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22BrNO4/c1-5-13(10(14)17-11(2,3)4)16-9-8-15-7-6-12/h5-9H2,1-4H3
InChIKeyOLRAHCQEXZXFES-UHFFFAOYSA-N
XLogP2.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate (CID 130301243) is tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate is CCN(OCCOCCBr)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate?
The InChIKey is OLRAHCQEXZXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO4/c1-5-13(10(14)17-11(2,3)4)16-9-8-15-7-6-12/h5-9H2,1-4H3.
What are the key properties of tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate?
tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate has a molecular weight of 312.20 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-bromoethoxy)ethoxy]-N-ethylcarbamate is sourced from PubChem (CID 130301243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).