cyclohexyl nitrite;nitrous acid

C6H12N2O4 — CID 174432355

IUPACcyclohexyl nitrite;nitrous acid
SMILESO=NO.O=NOC1CCCCC1
InChIInChI=1S/C6H11NO2.HNO2/c8-7-9-6-4-2-1-3-5-6;2-1-3/h6H,1-5H2;(H,2,3)
InChIKeyFJWOUNTUJYJYTA-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.16
Rot. Bonds2

About cyclohexyl nitrite;nitrous acid

cyclohexyl nitrite;nitrous acid (PubChem CID 174432355) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is cyclohexyl nitrite;nitrous acid.

Molecular Properties

Compound Namecyclohexyl nitrite;nitrous acid
PubChem CID174432355
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Namecyclohexyl nitrite;nitrous acid
SMILESO=NO.O=NOC1CCCCC1
InChIInChI=1S/C6H11NO2.HNO2/c8-7-9-6-4-2-1-3-5-6;2-1-3/h6H,1-5H2;(H,2,3)
InChIKeyFJWOUNTUJYJYTA-UHFFFAOYSA-N
XLogP2.16
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyloxypropan-2-imine
CID 130635287
2-cyclopentyloxyguanidine
CID 55290146
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
cyclohexane;hydroperoxycyclohexane
CID 88671084
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
tricyclohexyloxymethylsilane
CID 173155170
dicyclononyl carbonate
CID 139618210
[(3R)-oxolan-3-yl] nitrite
CID 145031788
cycloheptyl hydrogen carbonate
CID 23179405
1-cyclohexylcyclohexan-1-amine;nitrous acid
CID 157147588
cycloheptadecyl acetate
CID 57215828
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of cyclohexyl nitrite;nitrous acid?
The IUPAC name of cyclohexyl nitrite;nitrous acid (CID 174432355) is cyclohexyl nitrite;nitrous acid.
What is the SMILES notation for cyclohexyl nitrite;nitrous acid?
The canonical SMILES for cyclohexyl nitrite;nitrous acid is O=NO.O=NOC1CCCCC1.
What is the InChIKey of cyclohexyl nitrite;nitrous acid?
The InChIKey is FJWOUNTUJYJYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.HNO2/c8-7-9-6-4-2-1-3-5-6;2-1-3/h6H,1-5H2;(H,2,3).
What are the key properties of cyclohexyl nitrite;nitrous acid?
cyclohexyl nitrite;nitrous acid has a molecular weight of 176.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl nitrite;nitrous acid is sourced from PubChem (CID 174432355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).