tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)

C24H60O8Ti2 — CID 173047605

IUPACtetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].[Ti]
InChIInChI=1S/4C3H8O.4C3H7O.2Ti/c8*1-3(2)4;;/h4*3-4H,1-2H3;4*3H,1-2H3;;/q;;;;4*-1;;+4
InChIKeyIJBJRPDSHFRVKJ-UHFFFAOYSA-N
MW572.47 g/mol
LogP0.56
Rot. Bonds

About tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)

tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+) (PubChem CID 173047605) has the molecular formula C24H60O8Ti2 and a molecular weight of 572.47 g/mol. Its IUPAC name is tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+).

Molecular Properties

Compound Nametetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)
PubChem CID173047605
Molecular FormulaC24H60O8Ti2
Molecular Weight572.47 g/mol
Exact Mass572.32
IUPAC Nametetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].[Ti]
InChIInChI=1S/4C3H8O.4C3H7O.2Ti/c8*1-3(2)4;;/h4*3-4H,1-2H3;4*3H,1-2H3;;/q;;;;4*-1;;+4
InChIKeyIJBJRPDSHFRVKJ-UHFFFAOYSA-N
XLogP0.56
TPSA173.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.47
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;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

propan-2-ol;tris(propan-2-olate);yttrium(3+)
CID 172780762
barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)
CID 154700672
propan-2-ol;titanium
CID 25200171
propan-2-olate;titanium(4+);triiodide
CID 174248492
CID 175756453
CID 175756453
bis(propan-2-ol);titanium;hydrochloride
CID 87233898
sodium;pentakis(propan-2-olate);titanium(4+)
CID 15772239
tris(propan-2-ol);titanium;hydrate
CID 22645817
propan-2-ol;titanium;hydroiodide
CID 175242007
propan-2-ol;titanium(4+);tetrachloride
CID 157071877
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
bis(propan-2-ol);titanium(2+);titanium(4+);dichloride
CID 172699127

Frequently Asked Questions

What is the IUPAC name of tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)?
The IUPAC name of tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+) (CID 173047605) is tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+).
What is the SMILES notation for tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)?
The canonical SMILES for tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+) is CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].[Ti].
What is the InChIKey of tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)?
The InChIKey is IJBJRPDSHFRVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H8O.4C3H7O.2Ti/c8*1-3(2)4;;/h4*3-4H,1-2H3;4*3H,1-2H3;;/q;;;;4*-1;;+4.
What are the key properties of tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)?
tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+) has a molecular weight of 572.47 g/mol, XLogP of 0.56, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+) is sourced from PubChem (CID 173047605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).