cyclohexanecarbaldehyde;dihydroxydiazene

C7H14N2O3 — CID 173217705

IUPACcyclohexanecarbaldehyde;dihydroxydiazene
SMILESO=CC1CCCCC1.ON=NO
InChIInChI=1S/C7H12O.H2N2O2/c8-6-7-4-2-1-3-5-7;3-1-2-4/h6-7H,1-5H2;(H,1,4)(H,2,3)
InChIKeyGSTABYHJRASVBX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.98
Rot. Bonds1

About cyclohexanecarbaldehyde;dihydroxydiazene

cyclohexanecarbaldehyde;dihydroxydiazene (PubChem CID 173217705) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is cyclohexanecarbaldehyde;dihydroxydiazene.

Molecular Properties

Compound Namecyclohexanecarbaldehyde;dihydroxydiazene
PubChem CID173217705
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namecyclohexanecarbaldehyde;dihydroxydiazene
SMILESO=CC1CCCCC1.ON=NO
InChIInChI=1S/C7H12O.H2N2O2/c8-6-7-4-2-1-3-5-7;3-1-2-4/h6-7H,1-5H2;(H,1,4)(H,2,3)
InChIKeyGSTABYHJRASVBX-UHFFFAOYSA-N
XLogP1.98
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbaldehyde;dihydroxydiazene?
The IUPAC name of cyclohexanecarbaldehyde;dihydroxydiazene (CID 173217705) is cyclohexanecarbaldehyde;dihydroxydiazene.
What is the SMILES notation for cyclohexanecarbaldehyde;dihydroxydiazene?
The canonical SMILES for cyclohexanecarbaldehyde;dihydroxydiazene is O=CC1CCCCC1.ON=NO.
What is the InChIKey of cyclohexanecarbaldehyde;dihydroxydiazene?
The InChIKey is GSTABYHJRASVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.H2N2O2/c8-6-7-4-2-1-3-5-7;3-1-2-4/h6-7H,1-5H2;(H,1,4)(H,2,3).
What are the key properties of cyclohexanecarbaldehyde;dihydroxydiazene?
cyclohexanecarbaldehyde;dihydroxydiazene has a molecular weight of 174.20 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbaldehyde;dihydroxydiazene is sourced from PubChem (CID 173217705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).