tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate

C11H22BrNO4 — CID 22471886

IUPACtert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCBr
InChIInChI=1S/C11H22BrNO4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyWGWDCMKAMHBDPO-UHFFFAOYSA-N
MW312.20 g/mol
LogP1.94
Rot. Bonds8

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

tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate (PubChem CID 22471886) has the molecular formula C11H22BrNO4 and a molecular weight of 312.20 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate
PubChem CID22471886
Molecular FormulaC11H22BrNO4
Molecular Weight312.20 g/mol
Exact Mass311.07
IUPAC Nametert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCBr
InChIInChI=1S/C11H22BrNO4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyWGWDCMKAMHBDPO-UHFFFAOYSA-N
XLogP1.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Boc-aminoethoxy)ethanol
CID 5220470
tert-butyl N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}carbamate
CID 9881394
tert-Butyl (2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)carbamate
CID 10493865
Tert-butyl (2-(2-(2-hydroxyethoxy)ethoxy)ethyl)carbamate
CID 15742132
tert-butyl N-[2-(2-bromoethoxy)ethyl]carbamate
CID 22712752
tert-butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate
CID 10968359
Boc-NH-PEG4-amine
CID 11688612
tert-butyl N-(2-{2-[2-(2-bromoethoxy)ethoxy]ethoxy}ethyl)carbamate
CID 29974540
Propargyl-PEG2-NHBoc
CID 57757214
tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 77078283
BocNH-PEG2-CH2CH2NHMe
CID 86230361
N-Boc-PEG4-bromide
CID 88853548

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate (CID 22471886) is tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCBr.
What is the InChIKey of tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate?
The InChIKey is WGWDCMKAMHBDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate has a molecular weight of 312.20 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 22471886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).