dihydroxy(oxo)titanium;tris(N-ethylethanamine)

C12H35N3O3Ti — CID 22625592

IUPACdihydroxy(oxo)titanium;tris(N-ethylethanamine)
SMILESCCNCC.CCNCC.CCNCC.O=[Ti](O)O
InChIInChI=1S/3C4H11N.2H2O.O.Ti/c3*1-3-5-4-2;;;;/h3*5H,3-4H2,1-2H3;2*1H2;;/q;;;;;;+2/p-2
InChIKeyRWCHCPJGDFBQDD-UHFFFAOYSA-L
MW317.30 g/mol
LogP0.61
Rot. Bonds6

About dihydroxy(oxo)titanium;tris(N-ethylethanamine)

dihydroxy(oxo)titanium;tris(N-ethylethanamine) (PubChem CID 22625592) has the molecular formula C12H35N3O3Ti and a molecular weight of 317.30 g/mol. Its IUPAC name is dihydroxy(oxo)titanium;tris(N-ethylethanamine).

Molecular Properties

Compound Namedihydroxy(oxo)titanium;tris(N-ethylethanamine)
PubChem CID22625592
Molecular FormulaC12H35N3O3Ti
Molecular Weight317.30 g/mol
Exact Mass317.22
IUPAC Namedihydroxy(oxo)titanium;tris(N-ethylethanamine)
SMILESCCNCC.CCNCC.CCNCC.O=[Ti](O)O
InChIInChI=1S/3C4H11N.2H2O.O.Ti/c3*1-3-5-4-2;;;;/h3*5H,3-4H2,1-2H3;2*1H2;;/q;;;;;;+2/p-2
InChIKeyRWCHCPJGDFBQDD-UHFFFAOYSA-L
XLogP0.61
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)titanium;tris(N-ethylethanamine)?
The IUPAC name of dihydroxy(oxo)titanium;tris(N-ethylethanamine) (CID 22625592) is dihydroxy(oxo)titanium;tris(N-ethylethanamine).
What is the SMILES notation for dihydroxy(oxo)titanium;tris(N-ethylethanamine)?
The canonical SMILES for dihydroxy(oxo)titanium;tris(N-ethylethanamine) is CCNCC.CCNCC.CCNCC.O=[Ti](O)O.
What is the InChIKey of dihydroxy(oxo)titanium;tris(N-ethylethanamine)?
The InChIKey is RWCHCPJGDFBQDD-UHFFFAOYSA-L. The full InChI is InChI=1S/3C4H11N.2H2O.O.Ti/c3*1-3-5-4-2;;;;/h3*5H,3-4H2,1-2H3;2*1H2;;/q;;;;;;+2/p-2.
What are the key properties of dihydroxy(oxo)titanium;tris(N-ethylethanamine)?
dihydroxy(oxo)titanium;tris(N-ethylethanamine) has a molecular weight of 317.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)titanium;tris(N-ethylethanamine) is sourced from PubChem (CID 22625592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).