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

C15H30BrNO6 — CID 88853548

IUPACtert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr
InChIInChI=1S/C15H30BrNO6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13H2,1-3H3,(H,17,18)
InChIKeyKYOVSWOWVSWAII-UHFFFAOYSA-N
MW400.31 g/mol
LogP1.97
Rot. Bonds14

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

tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 88853548) has the molecular formula C15H30BrNO6 and a molecular weight of 400.31 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID88853548
Molecular FormulaC15H30BrNO6
Molecular Weight400.31 g/mol
Exact Mass399.13
IUPAC Nametert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr
InChIInChI=1S/C15H30BrNO6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13H2,1-3H3,(H,17,18)
InChIKeyKYOVSWOWVSWAII-UHFFFAOYSA-N
XLogP1.97
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 88853548) is tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is KYOVSWOWVSWAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 400.31 g/mol, XLogP of 1.97, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 88853548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).