bis(butan-1-olate);methanolate;titanium(4+)

C10H24O4Ti — CID 14574622

IUPACbis(butan-1-olate);methanolate;titanium(4+)
SMILESCCCC[O-].CCCC[O-].C[O-].C[O-].[Ti+4]
InChIInChI=1S/2C4H9O.2CH3O.Ti/c2*1-2-3-4-5;2*1-2;/h2*2-4H2,1H3;2*1H3;/q4*-1;+4
InChIKeyTVTASDGODSYCJX-UHFFFAOYSA-N
MW256.16 g/mol
LogP-1.76
Rot. Bonds4

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

bis(butan-1-olate);methanolate;titanium(4+) (PubChem CID 14574622) has the molecular formula C10H24O4Ti and a molecular weight of 256.16 g/mol. Its IUPAC name is bis(butan-1-olate);methanolate;titanium(4+).

Molecular Properties

Compound Namebis(butan-1-olate);methanolate;titanium(4+)
PubChem CID14574622
Molecular FormulaC10H24O4Ti
Molecular Weight256.16 g/mol
Exact Mass256.12
IUPAC Namebis(butan-1-olate);methanolate;titanium(4+)
SMILESCCCC[O-].CCCC[O-].C[O-].C[O-].[Ti+4]
InChIInChI=1S/2C4H9O.2CH3O.Ti/c2*1-2-3-4-5;2*1-2;/h2*2-4H2,1H3;2*1H3;/q4*-1;+4
InChIKeyTVTASDGODSYCJX-UHFFFAOYSA-N
XLogP-1.76
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(butan-1-olate);methanolate;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

decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
CID 53384475
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
barium(2+);hexakis(butan-1-olate);titanium(4+)
CID 159496938
tris(butan-1-olate);propane;titanium(4+)
CID 159398843
tris(butan-1-olate);niobium(3+)
CID 161059025
CID 22242269
CID 22242269
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266

Frequently Asked Questions

What is the IUPAC name of bis(butan-1-olate);methanolate;titanium(4+)?
The IUPAC name of bis(butan-1-olate);methanolate;titanium(4+) (CID 14574622) is bis(butan-1-olate);methanolate;titanium(4+).
What is the SMILES notation for bis(butan-1-olate);methanolate;titanium(4+)?
The canonical SMILES for bis(butan-1-olate);methanolate;titanium(4+) is CCCC[O-].CCCC[O-].C[O-].C[O-].[Ti+4].
What is the InChIKey of bis(butan-1-olate);methanolate;titanium(4+)?
The InChIKey is TVTASDGODSYCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.2CH3O.Ti/c2*1-2-3-4-5;2*1-2;/h2*2-4H2,1H3;2*1H3;/q4*-1;+4.
What are the key properties of bis(butan-1-olate);methanolate;titanium(4+)?
bis(butan-1-olate);methanolate;titanium(4+) has a molecular weight of 256.16 g/mol, XLogP of -1.76, 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);methanolate;titanium(4+) is sourced from PubChem (CID 14574622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).