tris(butan-1-olate);propane;titanium(4+)

C15H34O3Ti — CID 159398843

IUPACtris(butan-1-olate);propane;titanium(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].C[CH-]C.[Ti+4]
InChIInChI=1S/3C4H9O.C3H7.Ti/c3*1-2-3-4-5;1-3-2;/h3*2-4H2,1H3;3H,1-2H3;/q4*-1;+4
InChIKeyDTFNZKNLOHIDIZ-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.67
Rot. Bonds6

About tris(butan-1-olate);propane;titanium(4+)

tris(butan-1-olate);propane;titanium(4+) (PubChem CID 159398843) has the molecular formula C15H34O3Ti and a molecular weight of 310.30 g/mol. Its IUPAC name is tris(butan-1-olate);propane;titanium(4+).

Molecular Properties

Compound Nametris(butan-1-olate);propane;titanium(4+)
PubChem CID159398843
Molecular FormulaC15H34O3Ti
Molecular Weight310.30 g/mol
Exact Mass310.20
IUPAC Nametris(butan-1-olate);propane;titanium(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].C[CH-]C.[Ti+4]
InChIInChI=1S/3C4H9O.C3H7.Ti/c3*1-2-3-4-5;1-3-2;/h3*2-4H2,1H3;3H,1-2H3;/q4*-1;+4
InChIKeyDTFNZKNLOHIDIZ-UHFFFAOYSA-N
XLogP1.67
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.67
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);propane;titanium(4+)?
The IUPAC name of tris(butan-1-olate);propane;titanium(4+) (CID 159398843) is tris(butan-1-olate);propane;titanium(4+).
What is the SMILES notation for tris(butan-1-olate);propane;titanium(4+)?
The canonical SMILES for tris(butan-1-olate);propane;titanium(4+) is CCCC[O-].CCCC[O-].CCCC[O-].C[CH-]C.[Ti+4].
What is the InChIKey of tris(butan-1-olate);propane;titanium(4+)?
The InChIKey is DTFNZKNLOHIDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.C3H7.Ti/c3*1-2-3-4-5;1-3-2;/h3*2-4H2,1H3;3H,1-2H3;/q4*-1;+4.
What are the key properties of tris(butan-1-olate);propane;titanium(4+)?
tris(butan-1-olate);propane;titanium(4+) has a molecular weight of 310.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-olate);propane;titanium(4+) is sourced from PubChem (CID 159398843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).