cyclohexanone;tridecakis(N-hydroxyformamide)

C19H49N13O27 — CID 22158636

IUPACcyclohexanone;tridecakis(N-hydroxyformamide)
SMILESO=C1CCCCC1.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO
InChIInChI=1S/C6H10O.13CH3NO2/c7-6-4-2-1-3-5-6;13*3-1-2-4/h1-5H2;13*1,4H,(H,2,3)
InChIKeyOVXVWSBMWFVEOI-UHFFFAOYSA-N
MW891.66 g/mol
LogP-9.90
Rot. Bonds13

About cyclohexanone;tridecakis(N-hydroxyformamide)

cyclohexanone;tridecakis(N-hydroxyformamide) (PubChem CID 22158636) has the molecular formula C19H49N13O27 and a molecular weight of 891.66 g/mol. Its IUPAC name is cyclohexanone;tridecakis(N-hydroxyformamide).

Molecular Properties

Compound Namecyclohexanone;tridecakis(N-hydroxyformamide)
PubChem CID22158636
Molecular FormulaC19H49N13O27
Molecular Weight891.66 g/mol
Exact Mass891.29
IUPAC Namecyclohexanone;tridecakis(N-hydroxyformamide)
SMILESO=C1CCCCC1.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO
InChIInChI=1S/C6H10O.13CH3NO2/c7-6-4-2-1-3-5-6;13*3-1-2-4/h1-5H2;13*1,4H,(H,2,3)
InChIKeyOVXVWSBMWFVEOI-UHFFFAOYSA-N
XLogP-9.90
TPSA658.36 Ų
H-Bond Donors26
H-Bond Acceptors27
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.66
LogP ≤ 5-9.90
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 cyclohexanone;tridecakis(N-hydroxyformamide)?
The IUPAC name of cyclohexanone;tridecakis(N-hydroxyformamide) (CID 22158636) is cyclohexanone;tridecakis(N-hydroxyformamide).
What is the SMILES notation for cyclohexanone;tridecakis(N-hydroxyformamide)?
The canonical SMILES for cyclohexanone;tridecakis(N-hydroxyformamide) is O=C1CCCCC1.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.O=CNO.
What is the InChIKey of cyclohexanone;tridecakis(N-hydroxyformamide)?
The InChIKey is OVXVWSBMWFVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.13CH3NO2/c7-6-4-2-1-3-5-6;13*3-1-2-4/h1-5H2;13*1,4H,(H,2,3).
What are the key properties of cyclohexanone;tridecakis(N-hydroxyformamide)?
cyclohexanone;tridecakis(N-hydroxyformamide) has a molecular weight of 891.66 g/mol, XLogP of -9.90, 13 rotatable bonds, 26 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;tridecakis(N-hydroxyformamide) is sourced from PubChem (CID 22158636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).