methoxymethyl nitrate;methyl nitrate;hydroiodide

C3H9IN2O7 — CID 161097007

IUPACmethoxymethyl nitrate;methyl nitrate;hydroiodide
SMILESCOCO[N+](=O)[O-].CO[N+](=O)[O-].I
InChIInChI=1S/C2H5NO4.CH3NO3.HI/c1-6-2-7-3(4)5;1-5-2(3)4;/h2H2,1H3;1H3;1H
InChIKeyAEYIGNUXMNTMQA-UHFFFAOYSA-N
MW312.02 g/mol
LogP0.24
Rot. Bonds4

About methoxymethyl nitrate;methyl nitrate;hydroiodide

methoxymethyl nitrate;methyl nitrate;hydroiodide (PubChem CID 161097007) has the molecular formula C3H9IN2O7 and a molecular weight of 312.02 g/mol. Its IUPAC name is methoxymethyl nitrate;methyl nitrate;hydroiodide.

Molecular Properties

Compound Namemethoxymethyl nitrate;methyl nitrate;hydroiodide
PubChem CID161097007
Molecular FormulaC3H9IN2O7
Molecular Weight312.02 g/mol
Exact Mass311.95
IUPAC Namemethoxymethyl nitrate;methyl nitrate;hydroiodide
SMILESCOCO[N+](=O)[O-].CO[N+](=O)[O-].I
InChIInChI=1S/C2H5NO4.CH3NO3.HI/c1-6-2-7-3(4)5;1-5-2(3)4;/h2H2,1H3;1H3;1H
InChIKeyAEYIGNUXMNTMQA-UHFFFAOYSA-N
XLogP0.24
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.02
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium
CID 162066332
methyl nitrate
CID 11724
calcium methyl nitrate
CID 87508998
methoxy-(2-nitrooxyethoxy)-oxoazanium
CID 90990093
[2-(methoxymethyl)-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
CID 86756333
6-methoxyhexyl nitrate
CID 25193534
copper;ethyl nitrate
CID 146280081
methylaminomethyl nitrate
CID 59287819
3-methylbut-2-enyl nitrate
CID 10219448
[(2R)-2-hydroxypropyl] nitrate
CID 123944306
1-(methoxymethoxy)-2-methyl-2-nitropropane
CID 21255699
2-(1-nitrooxypropan-2-yloxy)propyl nitrate
CID 142775716

Frequently Asked Questions

What is the IUPAC name of methoxymethyl nitrate;methyl nitrate;hydroiodide?
The IUPAC name of methoxymethyl nitrate;methyl nitrate;hydroiodide (CID 161097007) is methoxymethyl nitrate;methyl nitrate;hydroiodide.
What is the SMILES notation for methoxymethyl nitrate;methyl nitrate;hydroiodide?
The canonical SMILES for methoxymethyl nitrate;methyl nitrate;hydroiodide is COCO[N+](=O)[O-].CO[N+](=O)[O-].I.
What is the InChIKey of methoxymethyl nitrate;methyl nitrate;hydroiodide?
The InChIKey is AEYIGNUXMNTMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4.CH3NO3.HI/c1-6-2-7-3(4)5;1-5-2(3)4;/h2H2,1H3;1H3;1H.
What are the key properties of methoxymethyl nitrate;methyl nitrate;hydroiodide?
methoxymethyl nitrate;methyl nitrate;hydroiodide has a molecular weight of 312.02 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl nitrate;methyl nitrate;hydroiodide is sourced from PubChem (CID 161097007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).