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

C17H34BrNO7 — CID 137346995

IUPACtert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCBr
InChIInChI=1S/C17H34BrNO7/c1-17(2,3)26-16(20)19-5-7-22-9-11-24-13-15-25-14-12-23-10-8-21-6-4-18/h4-15H2,1-3H3,(H,19,20)
InChIKeyNQPCGFYLHACMDX-UHFFFAOYSA-N
MW444.36 g/mol
LogP1.99
Rot. Bonds17

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

tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 137346995) has the molecular formula C17H34BrNO7 and a molecular weight of 444.36 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID137346995
Molecular FormulaC17H34BrNO7
Molecular Weight444.36 g/mol
Exact Mass443.15
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCBr
InChIInChI=1S/C17H34BrNO7/c1-17(2,3)26-16(20)19-5-7-22-9-11-24-13-15-25-14-12-23-10-8-21-6-4-18/h4-15H2,1-3H3,(H,19,20)
InChIKeyNQPCGFYLHACMDX-UHFFFAOYSA-N
XLogP1.99
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 137346995) is tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCBr.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is NQPCGFYLHACMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO7/c1-17(2,3)26-16(20)19-5-7-22-9-11-24-13-15-25-14-12-23-10-8-21-6-4-18/h4-15H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 444.36 g/mol, XLogP of 1.99, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 137346995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).