2-(methoxymethoxy)-1,3-dinitrosopropane

C5H10N2O4 — CID 121275584

IUPAC2-(methoxymethoxy)-1,3-dinitrosopropane
SMILESCOCOC(CN=O)CN=O
InChIInChI=1S/C5H10N2O4/c1-10-4-11-5(2-6-8)3-7-9/h5H,2-4H2,1H3
InChIKeyYMSBTMIKYNXLES-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.51
Rot. Bonds7

About 2-(methoxymethoxy)-1,3-dinitrosopropane

2-(methoxymethoxy)-1,3-dinitrosopropane (PubChem CID 121275584) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1,3-dinitrosopropane.

Molecular Properties

Compound Name2-(methoxymethoxy)-1,3-dinitrosopropane
PubChem CID121275584
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-(methoxymethoxy)-1,3-dinitrosopropane
SMILESCOCOC(CN=O)CN=O
InChIInChI=1S/C5H10N2O4/c1-10-4-11-5(2-6-8)3-7-9/h5H,2-4H2,1H3
InChIKeyYMSBTMIKYNXLES-UHFFFAOYSA-N
XLogP0.51
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-1,3-dinitrosopropane?
The IUPAC name of 2-(methoxymethoxy)-1,3-dinitrosopropane (CID 121275584) is 2-(methoxymethoxy)-1,3-dinitrosopropane.
What is the SMILES notation for 2-(methoxymethoxy)-1,3-dinitrosopropane?
The canonical SMILES for 2-(methoxymethoxy)-1,3-dinitrosopropane is COCOC(CN=O)CN=O.
What is the InChIKey of 2-(methoxymethoxy)-1,3-dinitrosopropane?
The InChIKey is YMSBTMIKYNXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-10-4-11-5(2-6-8)3-7-9/h5H,2-4H2,1H3.
What are the key properties of 2-(methoxymethoxy)-1,3-dinitrosopropane?
2-(methoxymethoxy)-1,3-dinitrosopropane has a molecular weight of 162.14 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1,3-dinitrosopropane is sourced from PubChem (CID 121275584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).