ethane;tris(propan-2-olate);titanium(4+)

C11H26O3Ti — CID 13435922

IUPACethane;tris(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[CH2-]C.[Ti+4]
InChIInChI=1S/3C3H7O.C2H5.Ti/c3*1-3(2)4;1-2;/h3*3H,1-2H3;1H2,2H3;/q4*-1;+4
InChIKeyUDDBNXMLAHITLU-UHFFFAOYSA-N
MW254.19 g/mol
LogP0.10
Rot. Bonds

About ethane;tris(propan-2-olate);titanium(4+)

ethane;tris(propan-2-olate);titanium(4+) (PubChem CID 13435922) has the molecular formula C11H26O3Ti and a molecular weight of 254.19 g/mol. Its IUPAC name is ethane;tris(propan-2-olate);titanium(4+).

Molecular Properties

Compound Nameethane;tris(propan-2-olate);titanium(4+)
PubChem CID13435922
Molecular FormulaC11H26O3Ti
Molecular Weight254.19 g/mol
Exact Mass254.14
IUPAC Nameethane;tris(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[CH2-]C.[Ti+4]
InChIInChI=1S/3C3H7O.C2H5.Ti/c3*1-3(2)4;1-2;/h3*3H,1-2H3;1H2,2H3;/q4*-1;+4
InChIKeyUDDBNXMLAHITLU-UHFFFAOYSA-N
XLogP0.10
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;tris(propan-2-olate);titanium(4+)?
The IUPAC name of ethane;tris(propan-2-olate);titanium(4+) (CID 13435922) is ethane;tris(propan-2-olate);titanium(4+).
What is the SMILES notation for ethane;tris(propan-2-olate);titanium(4+)?
The canonical SMILES for ethane;tris(propan-2-olate);titanium(4+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].[CH2-]C.[Ti+4].
What is the InChIKey of ethane;tris(propan-2-olate);titanium(4+)?
The InChIKey is UDDBNXMLAHITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.C2H5.Ti/c3*1-3(2)4;1-2;/h3*3H,1-2H3;1H2,2H3;/q4*-1;+4.
What are the key properties of ethane;tris(propan-2-olate);titanium(4+)?
ethane;tris(propan-2-olate);titanium(4+) has a molecular weight of 254.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(propan-2-olate);titanium(4+) is sourced from PubChem (CID 13435922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).