tris(propan-2-ol);titanium;hydrate

C9H26O4Ti — CID 22645817

IUPACtris(propan-2-ol);titanium;hydrate
SMILESCC(C)O.CC(C)O.CC(C)O.O.[Ti]
InChIInChI=1S/3C3H8O.H2O.Ti/c3*1-3(2)4;;/h3*3-4H,1-2H3;1H2;
InChIKeyXNNPBEJPJRAHRP-UHFFFAOYSA-N
MW246.17 g/mol
LogP0.33
Rot. Bonds

About tris(propan-2-ol);titanium;hydrate

tris(propan-2-ol);titanium;hydrate (PubChem CID 22645817) has the molecular formula C9H26O4Ti and a molecular weight of 246.17 g/mol. Its IUPAC name is tris(propan-2-ol);titanium;hydrate.

Molecular Properties

Compound Nametris(propan-2-ol);titanium;hydrate
PubChem CID22645817
Molecular FormulaC9H26O4Ti
Molecular Weight246.17 g/mol
Exact Mass246.13
IUPAC Nametris(propan-2-ol);titanium;hydrate
SMILESCC(C)O.CC(C)O.CC(C)O.O.[Ti]
InChIInChI=1S/3C3H8O.H2O.Ti/c3*1-3(2)4;;/h3*3-4H,1-2H3;1H2;
InChIKeyXNNPBEJPJRAHRP-UHFFFAOYSA-N
XLogP0.33
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-ol;titanium
CID 25200171
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
propan-2-ol;titanium;hydroiodide
CID 175242007
CID 175756453
CID 175756453
bis(propan-2-ol);titanium;hydrochloride
CID 87233898
propan-2-ol;dihydrate;trihydrochloride
CID 172856873
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
propan-2-ol;vanadium;hydrate;dihydrochloride
CID 171375749
lutetium;propan-2-ol
CID 174898431
erbium;propan-2-ol
CID 160843836
ethane-1,1-diol;hydrate
CID 86643495
holmium;tris(propan-2-ol)
CID 102601028

Frequently Asked Questions

What is the IUPAC name of tris(propan-2-ol);titanium;hydrate?
The IUPAC name of tris(propan-2-ol);titanium;hydrate (CID 22645817) is tris(propan-2-ol);titanium;hydrate.
What is the SMILES notation for tris(propan-2-ol);titanium;hydrate?
The canonical SMILES for tris(propan-2-ol);titanium;hydrate is CC(C)O.CC(C)O.CC(C)O.O.[Ti].
What is the InChIKey of tris(propan-2-ol);titanium;hydrate?
The InChIKey is XNNPBEJPJRAHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8O.H2O.Ti/c3*1-3(2)4;;/h3*3-4H,1-2H3;1H2;.
What are the key properties of tris(propan-2-ol);titanium;hydrate?
tris(propan-2-ol);titanium;hydrate has a molecular weight of 246.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-ol);titanium;hydrate is sourced from PubChem (CID 22645817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).