methoxy-(2-nitrooxyethoxy)-oxoazanium

C3H7N2O6+ — CID 90990093

IUPACmethoxy-(2-nitrooxyethoxy)-oxoazanium
SMILESCO[N+](=O)OCCO[N+](=O)[O-]
InChIInChI=1S/C3H7N2O6/c1-9-5(8)11-3-2-10-4(6)7/h2-3H2,1H3/q+1
InChIKeyFLHRFAQLOWDNFS-UHFFFAOYSA-N
MW167.10 g/mol
LogP-0.53
Rot. Bonds6

About methoxy-(2-nitrooxyethoxy)-oxoazanium

methoxy-(2-nitrooxyethoxy)-oxoazanium (PubChem CID 90990093) has the molecular formula C3H7N2O6+ and a molecular weight of 167.10 g/mol. Its IUPAC name is methoxy-(2-nitrooxyethoxy)-oxoazanium.

Molecular Properties

Compound Namemethoxy-(2-nitrooxyethoxy)-oxoazanium
PubChem CID90990093
Molecular FormulaC3H7N2O6+
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Namemethoxy-(2-nitrooxyethoxy)-oxoazanium
SMILESCO[N+](=O)OCCO[N+](=O)[O-]
InChIInChI=1S/C3H7N2O6/c1-9-5(8)11-3-2-10-4(6)7/h2-3H2,1H3/q+1
InChIKeyFLHRFAQLOWDNFS-UHFFFAOYSA-N
XLogP-0.53
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
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'}

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Related Compounds

bis(dibromonickel);bis(2-nitrooxyethyl nitrate)
CID 174625275
6-methoxyhexyl nitrate
CID 25193534
methyl nitrate
CID 11724
methoxymethyl nitrate;methyl nitrate;hydroiodide
CID 161097007
2-nitrooxyethyl formate
CID 14616602
calcium methyl nitrate
CID 87508998
2-(methylamino)ethyl nitrate;bis(nitric acid)
CID 24840569
phosphane;tetradecyl nitrate
CID 174825024
bis(2-nitrooxyethyl)azanium nitrate
CID 56844149
copper;ethyl nitrate
CID 146280081
S-(2-nitrooxyethyl) ethanethioate
CID 10654595
2-(dimethylamino)ethyl nitrate;N-methyl-N-[[methyl(nitro)amino]methyl]nitramide;molecular iodine
CID 160596010

Frequently Asked Questions

What is the IUPAC name of methoxy-(2-nitrooxyethoxy)-oxoazanium?
The IUPAC name of methoxy-(2-nitrooxyethoxy)-oxoazanium (CID 90990093) is methoxy-(2-nitrooxyethoxy)-oxoazanium.
What is the SMILES notation for methoxy-(2-nitrooxyethoxy)-oxoazanium?
The canonical SMILES for methoxy-(2-nitrooxyethoxy)-oxoazanium is CO[N+](=O)OCCO[N+](=O)[O-].
What is the InChIKey of methoxy-(2-nitrooxyethoxy)-oxoazanium?
The InChIKey is FLHRFAQLOWDNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O6/c1-9-5(8)11-3-2-10-4(6)7/h2-3H2,1H3/q+1.
What are the key properties of methoxy-(2-nitrooxyethoxy)-oxoazanium?
methoxy-(2-nitrooxyethoxy)-oxoazanium has a molecular weight of 167.10 g/mol, XLogP of -0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2-nitrooxyethoxy)-oxoazanium is sourced from PubChem (CID 90990093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).