aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide

C19H34AlNO — CID 5249761

IUPACaluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide
SMILESCC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.[Al+3].[CH3-].[CH3-]
InChIInChI=1S/C17H28NO.2CH3.Al/c1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19;;;/h7-9,11-14,19H,10H2,1-6H3;2*1H3;/q3*-1;+3
InChIKeyBYOJIHNQPIKBER-UHFFFAOYSA-N
MW319.47 g/mol
LogP5.62
Rot. Bonds6

About aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide

aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide (PubChem CID 5249761) has the molecular formula C19H34AlNO and a molecular weight of 319.47 g/mol. Its IUPAC name is aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide.

Molecular Properties

Compound Namealuminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide
PubChem CID5249761
Molecular FormulaC19H34AlNO
Molecular Weight319.47 g/mol
Exact Mass319.25
IUPAC Namealuminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide
SMILESCC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.[Al+3].[CH3-].[CH3-]
InChIInChI=1S/C17H28NO.2CH3.Al/c1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19;;;/h7-9,11-14,19H,10H2,1-6H3;2*1H3;/q3*-1;+3
InChIKeyBYOJIHNQPIKBER-UHFFFAOYSA-N
XLogP5.62
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

aluminum;bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);ethane
CID 5249770
bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)
CID 5246282
bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxy-4-phenylbutan-2-yl)azanide);nickel(2+)
CID 5246284
carbanide;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]azanidylpropyl]azanide;zirconium(4+)
CID 10864172
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide
CID 153290983
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
[2,6-di(propan-2-yl)phenyl]-trimethylsilylazanide;tin(2+);chloride
CID 122387275
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820724
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957

Frequently Asked Questions

What is the IUPAC name of aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide?
The IUPAC name of aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide (CID 5249761) is aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide.
What is the SMILES notation for aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide?
The canonical SMILES for aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide is CC(O)CC(C)[N-]c1c(C(C)C)cccc1C(C)C.[Al+3].[CH3-].[CH3-].
What is the InChIKey of aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide?
The InChIKey is BYOJIHNQPIKBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28NO.2CH3.Al/c1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19;;;/h7-9,11-14,19H,10H2,1-6H3;2*1H3;/q3*-1;+3.
What are the key properties of aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide?
aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide has a molecular weight of 319.47 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide is sourced from PubChem (CID 5249761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).