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

C11H23NO5 — CID 15742132

IUPACtert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCO
InChIInChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14)
InChIKeyFMLOTGGIHAYZLW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.54
Rot. Bonds8

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

tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate (PubChem CID 15742132) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
PubChem CID15742132
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Nametert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCO
InChIInChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14)
InChIKeyFMLOTGGIHAYZLW-UHFFFAOYSA-N
XLogP0.54
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxyethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate (CID 15742132) is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCO.
What is the InChIKey of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate?
The InChIKey is FMLOTGGIHAYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 15742132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).