ethanol;ethyl nitrate;nitric acid

C4H12N2O7 — CID 87921917

IUPACethanol;ethyl nitrate;nitric acid
SMILESCCO.CCO[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C2H5NO3.C2H6O.HNO3/c1-2-6-3(4)5;1-2-3;2-1(3)4/h2H2,1H3;3H,2H2,1H3;(H,2,3,4)
InChIKeyOFZCOIRGDIDYBF-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.13
Rot. Bonds2

About ethanol;ethyl nitrate;nitric acid

ethanol;ethyl nitrate;nitric acid (PubChem CID 87921917) has the molecular formula C4H12N2O7 and a molecular weight of 200.15 g/mol. Its IUPAC name is ethanol;ethyl nitrate;nitric acid.

Molecular Properties

Compound Nameethanol;ethyl nitrate;nitric acid
PubChem CID87921917
Molecular FormulaC4H12N2O7
Molecular Weight200.15 g/mol
Exact Mass200.06
IUPAC Nameethanol;ethyl nitrate;nitric acid
SMILESCCO.CCO[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C2H5NO3.C2H6O.HNO3/c1-2-6-3(4)5;1-2-3;2-1(3)4/h2H2,1H3;3H,2H2,1H3;(H,2,3,4)
InChIKeyOFZCOIRGDIDYBF-UHFFFAOYSA-N
XLogP-0.13
TPSA135.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Nitric acid-ethanol
CID 22251424
Ethanol nitrate
CID 19784822
Butan-1-ol nitrate
CID 20476502
Ethanol;mercury(2+);dinitrite
CID 20571200
Ethanol;mercury(2+);dinitrite
CID 20571201
Butan-1-ol;nitric acid
CID 21996756
Silver nitrate water ethanol
CID 86603848
N,N-bis(2-hydroxyethoxy)nitramide
CID 87131592
Ethane-1,2-diol;2-nitrooxyethyl nitrate
CID 87246411
Azane;bis(2-hydroxyethoxy)-oxoazanium
CID 87262879
Ethanol;methyl nitrate
CID 87311726
Ethanol;methyl nitrite
CID 87311807

Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl nitrate;nitric acid?
The IUPAC name of ethanol;ethyl nitrate;nitric acid (CID 87921917) is ethanol;ethyl nitrate;nitric acid.
What is the SMILES notation for ethanol;ethyl nitrate;nitric acid?
The canonical SMILES for ethanol;ethyl nitrate;nitric acid is CCO.CCO[N+](=O)[O-].O=[N+]([O-])O.
What is the InChIKey of ethanol;ethyl nitrate;nitric acid?
The InChIKey is OFZCOIRGDIDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3.C2H6O.HNO3/c1-2-6-3(4)5;1-2-3;2-1(3)4/h2H2,1H3;3H,2H2,1H3;(H,2,3,4).
What are the key properties of ethanol;ethyl nitrate;nitric acid?
ethanol;ethyl nitrate;nitric acid has a molecular weight of 200.15 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl nitrate;nitric acid is sourced from PubChem (CID 87921917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).