2-methoxyethyl nitrite

C3H7NO3 — CID 19016706

IUPAC2-methoxyethyl nitrite
SMILESCOCCON=O
InChIInChI=1S/C3H7NO3/c1-6-2-3-7-4-5/h2-3H2,1H3
InChIKeyGXBAFHQYDLBBBY-UHFFFAOYSA-N
MW105.09 g/mol
LogP0.33
Rot. Bonds4

About 2-methoxyethyl nitrite

2-methoxyethyl nitrite (PubChem CID 19016706) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 2-methoxyethyl nitrite.

Molecular Properties

Compound Name2-methoxyethyl nitrite
PubChem CID19016706
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name2-methoxyethyl nitrite
SMILESCOCCON=O
InChIInChI=1S/C3H7NO3/c1-6-2-3-7-4-5/h2-3H2,1H3
InChIKeyGXBAFHQYDLBBBY-UHFFFAOYSA-N
XLogP0.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methoxyethyl nitrite?
The IUPAC name of 2-methoxyethyl nitrite (CID 19016706) is 2-methoxyethyl nitrite.
What is the SMILES notation for 2-methoxyethyl nitrite?
The canonical SMILES for 2-methoxyethyl nitrite is COCCON=O.
What is the InChIKey of 2-methoxyethyl nitrite?
The InChIKey is GXBAFHQYDLBBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-6-2-3-7-4-5/h2-3H2,1H3.
What are the key properties of 2-methoxyethyl nitrite?
2-methoxyethyl nitrite has a molecular weight of 105.09 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl nitrite is sourced from PubChem (CID 19016706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).