1-(methoxymethoxy)-2-nitrosoethane

C4H9NO3 — CID 154001193

IUPAC1-(methoxymethoxy)-2-nitrosoethane
SMILESCOCOCCN=O
InChIInChI=1S/C4H9NO3/c1-7-4-8-3-2-5-6/h2-4H2,1H3
InChIKeyQTILGHRHKCJUNZ-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.37
Rot. Bonds5

About 1-(methoxymethoxy)-2-nitrosoethane

1-(methoxymethoxy)-2-nitrosoethane (PubChem CID 154001193) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 1-(methoxymethoxy)-2-nitrosoethane.

Molecular Properties

Compound Name1-(methoxymethoxy)-2-nitrosoethane
PubChem CID154001193
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name1-(methoxymethoxy)-2-nitrosoethane
SMILESCOCOCCN=O
InChIInChI=1S/C4H9NO3/c1-7-4-8-3-2-5-6/h2-4H2,1H3
InChIKeyQTILGHRHKCJUNZ-UHFFFAOYSA-N
XLogP0.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethoxy-2-nitrosoethane
CID 91024236
2-(2-Nitrosoethoxymethoxy)butane
CID 132151792
2-Methoxy-2-(2-nitrosoethoxy)propane
CID 164137639

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-2-nitrosoethane?
The IUPAC name of 1-(methoxymethoxy)-2-nitrosoethane (CID 154001193) is 1-(methoxymethoxy)-2-nitrosoethane.
What is the SMILES notation for 1-(methoxymethoxy)-2-nitrosoethane?
The canonical SMILES for 1-(methoxymethoxy)-2-nitrosoethane is COCOCCN=O.
What is the InChIKey of 1-(methoxymethoxy)-2-nitrosoethane?
The InChIKey is QTILGHRHKCJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-7-4-8-3-2-5-6/h2-4H2,1H3.
What are the key properties of 1-(methoxymethoxy)-2-nitrosoethane?
1-(methoxymethoxy)-2-nitrosoethane has a molecular weight of 119.12 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-2-nitrosoethane is sourced from PubChem (CID 154001193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).