ethoxyethane nitrite

C4H10NO3- — CID 18678140

IUPACethoxyethane nitrite
SMILESCCOCC.O=N[O-]
InChIInChI=1S/C4H10O.HNO2/c1-3-5-4-2;2-1-3/h3-4H2,1-2H3;(H,2,3)/p-1
InChIKeyQIHPBBVBGPSYGA-UHFFFAOYSA-M
MW120.13 g/mol
LogP1.29
Rot. Bonds2

About ethoxyethane nitrite

ethoxyethane nitrite (PubChem CID 18678140) has the molecular formula C4H10NO3- and a molecular weight of 120.13 g/mol. Its IUPAC name is ethoxyethane nitrite.

Molecular Properties

Compound Nameethoxyethane nitrite
PubChem CID18678140
Molecular FormulaC4H10NO3-
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Nameethoxyethane nitrite
SMILESCCOCC.O=N[O-]
InChIInChI=1S/C4H10O.HNO2/c1-3-5-4-2;2-1-3/h3-4H2,1-2H3;(H,2,3)/p-1
InChIKeyQIHPBBVBGPSYGA-UHFFFAOYSA-M
XLogP1.29
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', '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 ethoxyethane nitrite?
The IUPAC name of ethoxyethane nitrite (CID 18678140) is ethoxyethane nitrite.
What is the SMILES notation for ethoxyethane nitrite?
The canonical SMILES for ethoxyethane nitrite is CCOCC.O=N[O-].
What is the InChIKey of ethoxyethane nitrite?
The InChIKey is QIHPBBVBGPSYGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O.HNO2/c1-3-5-4-2;2-1-3/h3-4H2,1-2H3;(H,2,3)/p-1.
What are the key properties of ethoxyethane nitrite?
ethoxyethane nitrite has a molecular weight of 120.13 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane nitrite is sourced from PubChem (CID 18678140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).