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

C8H16N2O9 — CID 18981527

IUPAC2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate
SMILESO=[N+]([O-])OCCOCCOCCOCCO[N+](=O)[O-]
InChIInChI=1S/C8H16N2O9/c11-9(12)18-7-5-16-3-1-15-2-4-17-6-8-19-10(13)14/h1-8H2
InChIKeyTXPURXMTKXRAMV-UHFFFAOYSA-N
MW284.22 g/mol
LogP-0.55
Rot. Bonds14

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

2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate (PubChem CID 18981527) has the molecular formula C8H16N2O9 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate.

Molecular Properties

Compound Name2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate
PubChem CID18981527
Molecular FormulaC8H16N2O9
Molecular Weight284.22 g/mol
Exact Mass284.09
IUPAC Name2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate
SMILESO=[N+]([O-])OCCOCCOCCOCCO[N+](=O)[O-]
InChIInChI=1S/C8H16N2O9/c11-9(12)18-7-5-16-3-1-15-2-4-17-6-8-19-10(13)14/h1-8H2
InChIKeyTXPURXMTKXRAMV-UHFFFAOYSA-N
XLogP-0.55
TPSA132.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate?
The IUPAC name of 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate (CID 18981527) is 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate.
What is the SMILES notation for 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate?
The canonical SMILES for 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate is O=[N+]([O-])OCCOCCOCCOCCO[N+](=O)[O-].
What is the InChIKey of 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate?
The InChIKey is TXPURXMTKXRAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O9/c11-9(12)18-7-5-16-3-1-15-2-4-17-6-8-19-10(13)14/h1-8H2.
What are the key properties of 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate?
2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate has a molecular weight of 284.22 g/mol, XLogP of -0.55, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-nitrooxyethoxy)ethoxy]ethoxy]ethyl nitrate is sourced from PubChem (CID 18981527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).