ethoxyethane;nitric acid

C4H11NO4 — CID 87118560

IUPACethoxyethane;nitric acid
SMILESCCOCC.O=[N+]([O-])O
InChIInChI=1S/C4H10O.HNO3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;(H,2,3,4)
InChIKeyXZVQJRATQAIQRP-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.70
Rot. Bonds2

About ethoxyethane;nitric acid

ethoxyethane;nitric acid (PubChem CID 87118560) has the molecular formula C4H11NO4 and a molecular weight of 137.14 g/mol. Its IUPAC name is ethoxyethane;nitric acid.

Molecular Properties

Compound Nameethoxyethane;nitric acid
PubChem CID87118560
Molecular FormulaC4H11NO4
Molecular Weight137.14 g/mol
Exact Mass137.07
IUPAC Nameethoxyethane;nitric acid
SMILESCCOCC.O=[N+]([O-])O
InChIInChI=1S/C4H10O.HNO3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;(H,2,3,4)
InChIKeyXZVQJRATQAIQRP-UHFFFAOYSA-N
XLogP0.70
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
Ethoxyethane;nitrous acid
CID 87914531
Diethoxy(oxo)azanium hydroxide
CID 88727987
Ethoxyethane;2-hydroxyethyl nitrate
CID 89601235
Hydroxy-(3-methoxypropoxy)-oxoazanium
CID 123732513
DIPE Nitric acid
CID 131742500
Ethoxyethane;ethyl nitrate
CID 156413786
1-Butoxybutane;nitric acid
CID 157220859
Ethoxyethane;nitroso nitrate;ruthenium
CID 158137978

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;nitric acid?
The IUPAC name of ethoxyethane;nitric acid (CID 87118560) is ethoxyethane;nitric acid.
What is the SMILES notation for ethoxyethane;nitric acid?
The canonical SMILES for ethoxyethane;nitric acid is CCOCC.O=[N+]([O-])O.
What is the InChIKey of ethoxyethane;nitric acid?
The InChIKey is XZVQJRATQAIQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.HNO3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;(H,2,3,4).
What are the key properties of ethoxyethane;nitric acid?
ethoxyethane;nitric acid has a molecular weight of 137.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;nitric acid is sourced from PubChem (CID 87118560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).