2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate

C9H19NO4 — CID 87194647

IUPAC2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCO
InChIInChI=1S/C9H19NO4/c1-9(2,3)10-8(12)14-7-6-13-5-4-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyONYMMDILDXHFDH-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.52
Rot. Bonds5

About 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate

2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate (PubChem CID 87194647) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
PubChem CID87194647
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCO
InChIInChI=1S/C9H19NO4/c1-9(2,3)10-8(12)14-7-6-13-5-4-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyONYMMDILDXHFDH-UHFFFAOYSA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate (CID 87194647) is 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate?
The InChIKey is ONYMMDILDXHFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,3)10-8(12)14-7-6-13-5-4-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate?
2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate has a molecular weight of 205.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 87194647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).