1,4-dioxane;nitrous acid

C4H9NO4 — CID 15894010

IUPAC1,4-dioxane;nitrous acid
SMILESC1COCCO1.O=NO
InChIInChI=1S/C4H8O2.HNO2/c1-2-6-4-3-5-1;2-1-3/h1-4H2;(H,2,3)
InChIKeyLRUXYMORQPFGQI-UHFFFAOYSA-N
MW135.12 g/mol
LogP0.18
Rot. Bonds

About 1,4-dioxane;nitrous acid

1,4-dioxane;nitrous acid (PubChem CID 15894010) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is 1,4-dioxane;nitrous acid.

Molecular Properties

Compound Name1,4-dioxane;nitrous acid
PubChem CID15894010
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name1,4-dioxane;nitrous acid
SMILESC1COCCO1.O=NO
InChIInChI=1S/C4H8O2.HNO2/c1-2-6-4-3-5-1;2-1-3/h1-4H2;(H,2,3)
InChIKeyLRUXYMORQPFGQI-UHFFFAOYSA-N
XLogP0.18
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethylene glycol dinitrate
CID 61198
Diglykol-dinitrit
CID 129891322
2-Ethoxyethyl nitrate
CID 13318291
2-(2-Ethoxyethoxy)ethyl nitrate
CID 13766231
2-(2-Methoxyethoxy)ethyl nitrate
CID 20029681
1,2-Diethoxyethane;nitric acid
CID 23002762
1,4-Dioxane;nitric acid
CID 69573602
Hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium
CID 88560005
2-(2-Nitrosooxyethoxy)ethyl nitrate
CID 88560046
2-(2-Nitrooxyethoxy)ethyl nitrate;hydrate
CID 141733406
2-[2-(2-Nitrooxyethoxy)ethoxy]ethyl nitrate;hydrate
CID 141739741
[5-(Mercuriomethyl)-1,4-dioxan-2-yl]methylmercury;nitrate;hydrate
CID 409726

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;nitrous acid?
The IUPAC name of 1,4-dioxane;nitrous acid (CID 15894010) is 1,4-dioxane;nitrous acid.
What is the SMILES notation for 1,4-dioxane;nitrous acid?
The canonical SMILES for 1,4-dioxane;nitrous acid is C1COCCO1.O=NO.
What is the InChIKey of 1,4-dioxane;nitrous acid?
The InChIKey is LRUXYMORQPFGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.HNO2/c1-2-6-4-3-5-1;2-1-3/h1-4H2;(H,2,3).
What are the key properties of 1,4-dioxane;nitrous acid?
1,4-dioxane;nitrous acid has a molecular weight of 135.12 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;nitrous acid is sourced from PubChem (CID 15894010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).