4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid

C14H22N2O4 — CID 154588556

IUPAC4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid
SMILESO=COC1CCC(/N=N/C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22N2O4/c17-9-20-13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14(18)19/h9-13H,1-8H2,(H,18,19)/b16-15+
InChIKeyZURIIABGORHDBY-FOCLMDBBSA-N
MW282.34 g/mol
LogP2.57
Rot. Bonds5

About 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid

4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid (PubChem CID 154588556) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid
PubChem CID154588556
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid
SMILESO=COC1CCC(/N=N/C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22N2O4/c17-9-20-13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14(18)19/h9-13H,1-8H2,(H,18,19)/b16-15+
InChIKeyZURIIABGORHDBY-FOCLMDBBSA-N
XLogP2.57
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid (CID 154588556) is 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid is O=COC1CCC(/N=N/C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZURIIABGORHDBY-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-9-20-13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14(18)19/h9-13H,1-8H2,(H,18,19)/b16-15+.
What are the key properties of 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid?
4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 154588556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).