aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)

C18H33AlN6O6 — CID 137290047

IUPACaluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)
SMILES[Al+3].[O-]/N=[N+](\[O-])C1CCCCC1.[O-]/N=[N+](\[O-])C1CCCCC1.[O-]/N=[N+](\[O-])C1CCCCC1
InChIInChI=1S/3C6H12N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*6,9H,1-5H2;/q;;;+3/p-3/b3*8-7-;
InChIKeyNFCHVQYWRDXVLH-LWTKGLMZSA-K
MW456.48 g/mol
LogP4.96
Rot. Bonds3

About aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)

aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium) (PubChem CID 137290047) has the molecular formula C18H33AlN6O6 and a molecular weight of 456.48 g/mol. Its IUPAC name is aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium).

Molecular Properties

Compound Namealuminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)
PubChem CID137290047
Molecular FormulaC18H33AlN6O6
Molecular Weight456.48 g/mol
Exact Mass456.23
IUPAC Namealuminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)
SMILES[Al+3].[O-]/N=[N+](\[O-])C1CCCCC1.[O-]/N=[N+](\[O-])C1CCCCC1.[O-]/N=[N+](\[O-])C1CCCCC1
InChIInChI=1S/3C6H12N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*6,9H,1-5H2;/q;;;+3/p-3/b3*8-7-;
InChIKeyNFCHVQYWRDXVLH-LWTKGLMZSA-K
XLogP4.96
TPSA184.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

calcium;(E)-cyclohexyl-oxido-oxidoiminoazanium;(Z)-cyclohexyl-oxido-oxidoiminoazanium
CID 137095478
N-cycloheptylmethanimine oxide
CID 163654049
di(cyclooctyl)azaniumylideneazanide
CID 18361652
1-cyano-N-cyclohexylmethanimine oxide
CID 129104515
1-fluoro-3-nitrocyclododecane
CID 67108206
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
(E)-N-cyclohexylbut-2-en-1-imine oxide
CID 91998766
dicyclohexyldiazene;nitric acid
CID 19801404
azane;cyclohexylcyclohexane
CID 66583255
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309

Frequently Asked Questions

What is the IUPAC name of aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)?
The IUPAC name of aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium) (CID 137290047) is aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium).
What is the SMILES notation for aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)?
The canonical SMILES for aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium) is [Al+3].[O-]/N=[N+](\[O-])C1CCCCC1.[O-]/N=[N+](\[O-])C1CCCCC1.[O-]/N=[N+](\[O-])C1CCCCC1.
What is the InChIKey of aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)?
The InChIKey is NFCHVQYWRDXVLH-LWTKGLMZSA-K. The full InChI is InChI=1S/3C6H12N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*6,9H,1-5H2;/q;;;+3/p-3/b3*8-7-;.
What are the key properties of aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium)?
aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium) has a molecular weight of 456.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris((Z)-cyclohexyl-oxido-oxidoiminoazanium) is sourced from PubChem (CID 137290047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).