2-ethoxyethyl nitrite

C4H9NO3 — CID 11040683

IUPAC2-ethoxyethyl nitrite
SMILESCCOCCON=O
InChIInChI=1S/C4H9NO3/c1-2-7-3-4-8-5-6/h2-4H2,1H3
InChIKeyUAQPVXNVJIGRGE-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.72
Rot. Bonds5

About 2-ethoxyethyl nitrite

2-ethoxyethyl nitrite (PubChem CID 11040683) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-ethoxyethyl nitrite.

Molecular Properties

Compound Name2-ethoxyethyl nitrite
PubChem CID11040683
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-ethoxyethyl nitrite
SMILESCCOCCON=O
InChIInChI=1S/C4H9NO3/c1-2-7-3-4-8-5-6/h2-4H2,1H3
InChIKeyUAQPVXNVJIGRGE-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
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-ethoxyethyl nitrite?
The IUPAC name of 2-ethoxyethyl nitrite (CID 11040683) is 2-ethoxyethyl nitrite.
What is the SMILES notation for 2-ethoxyethyl nitrite?
The canonical SMILES for 2-ethoxyethyl nitrite is CCOCCON=O.
What is the InChIKey of 2-ethoxyethyl nitrite?
The InChIKey is UAQPVXNVJIGRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2-7-3-4-8-5-6/h2-4H2,1H3.
What are the key properties of 2-ethoxyethyl nitrite?
2-ethoxyethyl nitrite has a molecular weight of 119.12 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl nitrite is sourced from PubChem (CID 11040683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).