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

C10H24O2Ti — CID 14048565

IUPACethane;bis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].[CH2-]C.[CH2-]C.[Ti+4]
InChIInChI=1S/2C3H7O.2C2H5.Ti/c2*1-3(2)4;2*1-2;/h2*3H,1-2H3;2*1H2,2H3;/q4*-1;+4
InChIKeyNYSRXINYXLLJHB-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.19
Rot. Bonds

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

ethane;bis(propan-2-olate);titanium(4+) (PubChem CID 14048565) has the molecular formula C10H24O2Ti and a molecular weight of 224.17 g/mol. Its IUPAC name is ethane;bis(propan-2-olate);titanium(4+).

Molecular Properties

Compound Nameethane;bis(propan-2-olate);titanium(4+)
PubChem CID14048565
Molecular FormulaC10H24O2Ti
Molecular Weight224.17 g/mol
Exact Mass224.13
IUPAC Nameethane;bis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].[CH2-]C.[CH2-]C.[Ti+4]
InChIInChI=1S/2C3H7O.2C2H5.Ti/c2*1-3(2)4;2*1-2;/h2*3H,1-2H3;2*1H2,2H3;/q4*-1;+4
InChIKeyNYSRXINYXLLJHB-UHFFFAOYSA-N
XLogP1.19
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Triisopropyl borate
CID 21531
Aluminum isopropoxide
CID 11143
Aluminum sec-butoxide
CID 61289
Titanium isopropoxide
CID 11026
Antimony(3+) tripropan-2-olate
CID 3034303
Titanium tetrapropoxide
CID 9903917
Chlorotitanium triisopropoxide
CID 3084342
2-Butanol peroxide
CID 162258
Lanthanum isopropoxide
CID 9858075
Tellurium(IV) isopropoxide
CID 15771447
Germanium(IV) isopropoxide
CID 16685043
Zirconium(4+) propan-2-olate
CID 3083750

Frequently Asked Questions

What is the IUPAC name of ethane;bis(propan-2-olate);titanium(4+)?
The IUPAC name of ethane;bis(propan-2-olate);titanium(4+) (CID 14048565) is ethane;bis(propan-2-olate);titanium(4+).
What is the SMILES notation for ethane;bis(propan-2-olate);titanium(4+)?
The canonical SMILES for ethane;bis(propan-2-olate);titanium(4+) is CC(C)[O-].CC(C)[O-].[CH2-]C.[CH2-]C.[Ti+4].
What is the InChIKey of ethane;bis(propan-2-olate);titanium(4+)?
The InChIKey is NYSRXINYXLLJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.2C2H5.Ti/c2*1-3(2)4;2*1-2;/h2*3H,1-2H3;2*1H2,2H3;/q4*-1;+4.
What are the key properties of ethane;bis(propan-2-olate);titanium(4+)?
ethane;bis(propan-2-olate);titanium(4+) has a molecular weight of 224.17 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(propan-2-olate);titanium(4+) is sourced from PubChem (CID 14048565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).