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

C15H31NO6 — CID 58690223

IUPACtert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
SMILESCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO6/c1-5-18-8-9-20-12-13-21-11-10-19-7-6-16-14(17)22-15(2,3)4/h5-13H2,1-4H3,(H,16,17)
InChIKeyGGGJVYZRSLBNQI-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.60
Rot. Bonds13

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

tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate (PubChem CID 58690223) has the molecular formula C15H31NO6 and a molecular weight of 321.41 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
PubChem CID58690223
Molecular FormulaC15H31NO6
Molecular Weight321.41 g/mol
Exact Mass321.22
IUPAC Nametert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
SMILESCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO6/c1-5-18-8-9-20-12-13-21-11-10-19-7-6-16-14(17)22-15(2,3)4/h5-13H2,1-4H3,(H,16,17)
InChIKeyGGGJVYZRSLBNQI-UHFFFAOYSA-N
XLogP1.60
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate (CID 58690223) is tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate is CCOCCOCCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is GGGJVYZRSLBNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO6/c1-5-18-8-9-20-12-13-21-11-10-19-7-6-16-14(17)22-15(2,3)4/h5-13H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 321.41 g/mol, XLogP of 1.60, 13 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-ethoxyethoxy)ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 58690223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).