2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate

C6H13NO6 — CID 542710

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate
SMILESO=[N+]([O-])OCCOCCOCCO
InChIInChI=1S/C6H13NO6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h8H,1-6H2
InChIKeyGCVXUERSYPSYQA-UHFFFAOYSA-N
MW195.17 g/mol
LogP-0.78
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate (PubChem CID 542710) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate
PubChem CID542710
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate
SMILESO=[N+]([O-])OCCOCCOCCO
InChIInChI=1S/C6H13NO6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h8H,1-6H2
InChIKeyGCVXUERSYPSYQA-UHFFFAOYSA-N
XLogP-0.78
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate 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 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate (CID 542710) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate is O=[N+]([O-])OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate?
The InChIKey is GCVXUERSYPSYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate has a molecular weight of 195.17 g/mol, XLogP of -0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate is sourced from PubChem (CID 542710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).