2-(2-hydroxyethoxy)ethyl nitrate

C4H9NO5 — CID 519798

IUPAC2-(2-hydroxyethoxy)ethyl nitrate
SMILESO=[N+]([O-])OCCOCCO
InChIInChI=1S/C4H9NO5/c6-1-2-9-3-4-10-5(7)8/h6H,1-4H2
InChIKeyQRCYUCUXPSBJNO-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.80
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl nitrate

2-(2-hydroxyethoxy)ethyl nitrate (PubChem CID 519798) has the molecular formula C4H9NO5 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl nitrate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl nitrate
PubChem CID519798
Molecular FormulaC4H9NO5
Molecular Weight151.12 g/mol
Exact Mass151.05
IUPAC Name2-(2-hydroxyethoxy)ethyl nitrate
SMILESO=[N+]([O-])OCCOCCO
InChIInChI=1S/C4H9NO5/c6-1-2-9-3-4-10-5(7)8/h6H,1-4H2
InChIKeyQRCYUCUXPSBJNO-UHFFFAOYSA-N
XLogP-0.80
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl nitrate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl nitrate (CID 519798) is 2-(2-hydroxyethoxy)ethyl nitrate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl nitrate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl nitrate is O=[N+]([O-])OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl nitrate?
The InChIKey is QRCYUCUXPSBJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5/c6-1-2-9-3-4-10-5(7)8/h6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethyl nitrate?
2-(2-hydroxyethoxy)ethyl nitrate has a molecular weight of 151.12 g/mol, XLogP of -0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl nitrate is sourced from PubChem (CID 519798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).