bis(butan-1-olate);bis(propan-2-olate);titanium(4+)

C14H32O4Ti — CID 90474924

IUPACbis(butan-1-olate);bis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CCCC[O-].CCCC[O-].[Ti+4]
InChIInChI=1S/2C4H9O.2C3H7O.Ti/c2*1-2-3-4-5;2*1-3(2)4;/h2*2-4H2,1H3;2*3H,1-2H3;/q4*-1;+4
InChIKeyQWJLLDFFAFDUHM-UHFFFAOYSA-N
MW312.27 g/mol
LogP-0.20
Rot. Bonds4

About bis(butan-1-olate);bis(propan-2-olate);titanium(4+)

bis(butan-1-olate);bis(propan-2-olate);titanium(4+) (PubChem CID 90474924) has the molecular formula C14H32O4Ti and a molecular weight of 312.27 g/mol. Its IUPAC name is bis(butan-1-olate);bis(propan-2-olate);titanium(4+).

Molecular Properties

Compound Namebis(butan-1-olate);bis(propan-2-olate);titanium(4+)
PubChem CID90474924
Molecular FormulaC14H32O4Ti
Molecular Weight312.27 g/mol
Exact Mass312.18
IUPAC Namebis(butan-1-olate);bis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CCCC[O-].CCCC[O-].[Ti+4]
InChIInChI=1S/2C4H9O.2C3H7O.Ti/c2*1-2-3-4-5;2*1-3(2)4;/h2*2-4H2,1H3;2*3H,1-2H3;/q4*-1;+4
InChIKeyQWJLLDFFAFDUHM-UHFFFAOYSA-N
XLogP-0.20
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(butan-1-olate);bis(propan-2-olate);titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(butan-1-olate);tetrakis(propan-2-olate);bis(zirconium(4+))
CID 159358567
decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
CID 53384475
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
bis(butan-1-olate);methanolate;titanium(4+)
CID 14574622
barium(2+);hexakis(butan-1-olate);titanium(4+)
CID 159496938
aluminum;hexan-1-olate;bis(propan-2-olate)
CID 102269267
tris(butan-1-olate);propane;titanium(4+)
CID 159398843
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tris(butan-1-olate);niobium(3+)
CID 161059025
CID 22242269
CID 22242269

Frequently Asked Questions

What is the IUPAC name of bis(butan-1-olate);bis(propan-2-olate);titanium(4+)?
The IUPAC name of bis(butan-1-olate);bis(propan-2-olate);titanium(4+) (CID 90474924) is bis(butan-1-olate);bis(propan-2-olate);titanium(4+).
What is the SMILES notation for bis(butan-1-olate);bis(propan-2-olate);titanium(4+)?
The canonical SMILES for bis(butan-1-olate);bis(propan-2-olate);titanium(4+) is CC(C)[O-].CC(C)[O-].CCCC[O-].CCCC[O-].[Ti+4].
What is the InChIKey of bis(butan-1-olate);bis(propan-2-olate);titanium(4+)?
The InChIKey is QWJLLDFFAFDUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.2C3H7O.Ti/c2*1-2-3-4-5;2*1-3(2)4;/h2*2-4H2,1H3;2*3H,1-2H3;/q4*-1;+4.
What are the key properties of bis(butan-1-olate);bis(propan-2-olate);titanium(4+)?
bis(butan-1-olate);bis(propan-2-olate);titanium(4+) has a molecular weight of 312.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-1-olate);bis(propan-2-olate);titanium(4+) is sourced from PubChem (CID 90474924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).