ethoxyethane;nitrous acid

C4H11NO3 — CID 87914531

IUPACethoxyethane;nitrous acid
SMILESCCOCC.O=NO
InChIInChI=1S/C4H10O.HNO2/c1-3-5-4-2;2-1-3/h3-4H2,1-2H3;(H,2,3)
InChIKeyQIHPBBVBGPSYGA-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.18
Rot. Bonds2

About ethoxyethane;nitrous acid

ethoxyethane;nitrous acid (PubChem CID 87914531) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is ethoxyethane;nitrous acid.

Molecular Properties

Compound Nameethoxyethane;nitrous acid
PubChem CID87914531
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Nameethoxyethane;nitrous acid
SMILESCCOCC.O=NO
InChIInChI=1S/C4H10O.HNO2/c1-3-5-4-2;2-1-3/h3-4H2,1-2H3;(H,2,3)
InChIKeyQIHPBBVBGPSYGA-UHFFFAOYSA-N
XLogP1.18
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Diethoxy(oxo)azanium
CID 3366095
Nitrous acid, 2-ethoxyethyl ester
CID 11040683
1,2-Diethoxyethane;nitric acid
CID 23002762
Ethoxyethane;nitric acid
CID 87118560
Diethoxy(oxo)azanium hydroxide
CID 88727987
Ethoxyethane;ethyl nitrate
CID 156413786
Nitrous acid;1-propoxypropane
CID 174701141
Ethoxyethane nitrite
CID 18678140
Ethoxyethane nitrate
CID 22648344
3-Ethoxypropyl nitrite
CID 119096169

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;nitrous acid?
The IUPAC name of ethoxyethane;nitrous acid (CID 87914531) is ethoxyethane;nitrous acid.
What is the SMILES notation for ethoxyethane;nitrous acid?
The canonical SMILES for ethoxyethane;nitrous acid is CCOCC.O=NO.
What is the InChIKey of ethoxyethane;nitrous acid?
The InChIKey is QIHPBBVBGPSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.HNO2/c1-3-5-4-2;2-1-3/h3-4H2,1-2H3;(H,2,3).
What are the key properties of ethoxyethane;nitrous acid?
ethoxyethane;nitrous acid has a molecular weight of 121.14 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;nitrous acid is sourced from PubChem (CID 87914531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).