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

C6H12N2O8 — CID 8099

IUPAC2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
SMILESO=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]
InChIInChI=1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2
InChIKeyAGCQZYRSTIRJFM-UHFFFAOYSA-N
MW240.17 g/mol
LogP-0.56
Rot. Bonds11

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

2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate (PubChem CID 8099) has the molecular formula C6H12N2O8 and a molecular weight of 240.17 g/mol. Its IUPAC name is 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate.

Molecular Properties

Compound Name2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
PubChem CID8099
Molecular FormulaC6H12N2O8
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
SMILESO=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]
InChIInChI=1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2
InChIKeyAGCQZYRSTIRJFM-UHFFFAOYSA-N
XLogP-0.56
TPSA123.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

Diethylene glycol dinitrate
CID 61198
Tetraethylene glycol dinitrate
CID 18981527
Diglykol-dinitrit
CID 129891322
bis(nitrato-O,O')-1,4,7,10,13-pentaoxacyclopentadecane-lead(II)
CID 139160191
1,4,7,10,13,16-Hexaoxacyclooctadecane;bis(nitric acid);dihydrate
CID 139175133
2-Ethoxyethyl nitrate
CID 13318291
2-(2-Ethoxyethoxy)ethyl nitrate
CID 13766231
2-(2,3-Dinitrooxypropoxy)ethyl nitrate
CID 19025160
2-(2-Methoxyethoxy)ethyl nitrate
CID 20029681
2-(2-Hydroxyethoxy)ethanol;tris(nitric acid)
CID 20161042
2-Propoxyethyl nitrate
CID 20459323
2-(2-Nitrooxyethoxy)ethyl nitrate;2-nitrooxyethyl nitrate
CID 21554653

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate?
The IUPAC name of 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate (CID 8099) is 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate.
What is the SMILES notation for 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate?
The canonical SMILES for 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate is O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate?
The InChIKey is AGCQZYRSTIRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2.
What are the key properties of 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate?
2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate has a molecular weight of 240.17 g/mol, XLogP of -0.56, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate is sourced from PubChem (CID 8099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).