2-(methoxymethoxy)-1-nitropropane

C5H11NO4 — CID 163900649

IUPAC2-(methoxymethoxy)-1-nitropropane
SMILESCOCOC(C)C[N+](=O)[O-]
InChIInChI=1S/C5H11NO4/c1-5(3-6(7)8)10-4-9-2/h5H,3-4H2,1-2H3
InChIKeyQJNYFVGVHWVDII-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.27
Rot. Bonds5

About 2-(methoxymethoxy)-1-nitropropane

2-(methoxymethoxy)-1-nitropropane (PubChem CID 163900649) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1-nitropropane.

Molecular Properties

Compound Name2-(methoxymethoxy)-1-nitropropane
PubChem CID163900649
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name2-(methoxymethoxy)-1-nitropropane
SMILESCOCOC(C)C[N+](=O)[O-]
InChIInChI=1S/C5H11NO4/c1-5(3-6(7)8)10-4-9-2/h5H,3-4H2,1-2H3
InChIKeyQJNYFVGVHWVDII-UHFFFAOYSA-N
XLogP0.27
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(methoxymethoxy)-1-nitropropane?
The IUPAC name of 2-(methoxymethoxy)-1-nitropropane (CID 163900649) is 2-(methoxymethoxy)-1-nitropropane.
What is the SMILES notation for 2-(methoxymethoxy)-1-nitropropane?
The canonical SMILES for 2-(methoxymethoxy)-1-nitropropane is COCOC(C)C[N+](=O)[O-].
What is the InChIKey of 2-(methoxymethoxy)-1-nitropropane?
The InChIKey is QJNYFVGVHWVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-5(3-6(7)8)10-4-9-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-1-nitropropane?
2-(methoxymethoxy)-1-nitropropane has a molecular weight of 149.15 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1-nitropropane is sourced from PubChem (CID 163900649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).