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

C26H60N3OTi — CID 21463914

IUPACtris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+)
SMILESCCCCC(CC)CO.CCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[Ti+3]
InChIInChI=1S/C8H18O.3C6H14N.Ti/c1-3-5-6-8(4-2)7-9;3*1-3-5-7-6-4-2;/h8-9H,3-7H2,1-2H3;3*3-6H2,1-2H3;/q;3*-1;+3
InChIKeyAIVHESOYPAXTEA-UHFFFAOYSA-N
MW478.65 g/mol
LogP8.73
Rot. Bonds17

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

tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+) (PubChem CID 21463914) has the molecular formula C26H60N3OTi and a molecular weight of 478.65 g/mol. Its IUPAC name is tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+).

Molecular Properties

Compound Nametris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+)
PubChem CID21463914
Molecular FormulaC26H60N3OTi
Molecular Weight478.65 g/mol
Exact Mass478.42
IUPAC Nametris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+)
SMILESCCCCC(CC)CO.CCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[Ti+3]
InChIInChI=1S/C8H18O.3C6H14N.Ti/c1-3-5-6-8(4-2)7-9;3*1-3-5-7-6-4-2;/h8-9H,3-7H2,1-2H3;3*3-6H2,1-2H3;/q;3*-1;+3
InChIKeyAIVHESOYPAXTEA-UHFFFAOYSA-N
XLogP8.73
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.65
LogP ≤ 58.73
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(dipropylazanide);2-ethylhexan-1-ol;titanium(3+)?
The IUPAC name of tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+) (CID 21463914) is tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+).
What is the SMILES notation for tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+)?
The canonical SMILES for tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+) is CCCCC(CC)CO.CCC[N-]CCC.CCC[N-]CCC.CCC[N-]CCC.[Ti+3].
What is the InChIKey of tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+)?
The InChIKey is AIVHESOYPAXTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.3C6H14N.Ti/c1-3-5-6-8(4-2)7-9;3*1-3-5-7-6-4-2;/h8-9H,3-7H2,1-2H3;3*3-6H2,1-2H3;/q;3*-1;+3.
What are the key properties of tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+)?
tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+) has a molecular weight of 478.65 g/mol, XLogP of 8.73, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dipropylazanide);2-ethylhexan-1-ol;titanium(3+) is sourced from PubChem (CID 21463914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).