tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)

C32H72N3OTi — CID 21463935

IUPACtris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)
SMILESCCCCC(CC)CO.CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[Ti+3]
InChIInChI=1S/3C8H18N.C8H18O.Ti/c3*1-3-5-7-9-8-6-4-2;1-3-5-6-8(4-2)7-9;/h3*3-8H2,1-2H3;8-9H,3-7H2,1-2H3;/q3*-1;;+3
InChIKeyFAGHCVTZMUSSKF-UHFFFAOYSA-N
MW562.82 g/mol
LogP11.07
Rot. Bonds23

About tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)

tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+) (PubChem CID 21463935) has the molecular formula C32H72N3OTi and a molecular weight of 562.82 g/mol. Its IUPAC name is tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+).

Molecular Properties

Compound Nametris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)
PubChem CID21463935
Molecular FormulaC32H72N3OTi
Molecular Weight562.82 g/mol
Exact Mass562.52
IUPAC Nametris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)
SMILESCCCCC(CC)CO.CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[Ti+3]
InChIInChI=1S/3C8H18N.C8H18O.Ti/c3*1-3-5-7-9-8-6-4-2;1-3-5-6-8(4-2)7-9;/h3*3-8H2,1-2H3;8-9H,3-7H2,1-2H3;/q3*-1;;+3
InChIKeyFAGHCVTZMUSSKF-UHFFFAOYSA-N
XLogP11.07
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.82
LogP ≤ 511.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)?
The IUPAC name of tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+) (CID 21463935) is tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+).
What is the SMILES notation for tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)?
The canonical SMILES for tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+) is CCCCC(CC)CO.CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[Ti+3].
What is the InChIKey of tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)?
The InChIKey is FAGHCVTZMUSSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H18N.C8H18O.Ti/c3*1-3-5-7-9-8-6-4-2;1-3-5-6-8(4-2)7-9;/h3*3-8H2,1-2H3;8-9H,3-7H2,1-2H3;/q3*-1;;+3.
What are the key properties of tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+)?
tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+) has a molecular weight of 562.82 g/mol, XLogP of 11.07, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dibutylazanide);2-ethylhexan-1-ol;titanium(3+) is sourced from PubChem (CID 21463935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).