bis(2-hydroxyacetate);titanium(2+);dihydrate

C4H10O8Ti — CID 87109792

IUPACbis(2-hydroxyacetate);titanium(2+);dihydrate
SMILESO.O.O=C([O-])CO.O=C([O-])CO.[Ti+2]
InChIInChI=1S/2C2H4O3.2H2O.Ti/c2*3-1-2(4)5;;;/h2*3H,1H2,(H,4,5);2*1H2;/q;;;;+2/p-2
InChIKeyPEJKVAIPVCWMST-UHFFFAOYSA-L
MW233.98 g/mol
LogP-6.19
Rot. Bonds2

About bis(2-hydroxyacetate);titanium(2+);dihydrate

bis(2-hydroxyacetate);titanium(2+);dihydrate (PubChem CID 87109792) has the molecular formula C4H10O8Ti and a molecular weight of 233.98 g/mol. Its IUPAC name is bis(2-hydroxyacetate);titanium(2+);dihydrate.

Molecular Properties

Compound Namebis(2-hydroxyacetate);titanium(2+);dihydrate
PubChem CID87109792
Molecular FormulaC4H10O8Ti
Molecular Weight233.98 g/mol
Exact Mass233.99
IUPAC Namebis(2-hydroxyacetate);titanium(2+);dihydrate
SMILESO.O.O=C([O-])CO.O=C([O-])CO.[Ti+2]
InChIInChI=1S/2C2H4O3.2H2O.Ti/c2*3-1-2(4)5;;;/h2*3H,1H2,(H,4,5);2*1H2;/q;;;;+2/p-2
InChIKeyPEJKVAIPVCWMST-UHFFFAOYSA-L
XLogP-6.19
TPSA183.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.98
LogP ≤ 5-6.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxyacetate
CID 5460308
dipotassium bis(2-hydroxyacetate)
CID 140653272
dysprosium(3+);tris(2-hydroxyacetate)
CID 158146925
tris(2-hydroxyacetate);iridium(3+)
CID 158441249
zinc bis(2-hydroxyacetate)
CID 15245444
2-hydroxyacetate;iron(2+)
CID 18504415
tris(2-hydroxyacetate);yttrium(3+)
CID 161004200
azanium;2-hydroxyacetate;titanium
CID 173336650
magnesium;2-hydroxyacetate;chloride
CID 18799087
trisodium;tris(2-hydroxyacetate);(2-hydroxyacetic acid)
CID 173437096
disodium;2-hydroxyacetate;oxido(dioxo)tungsten
CID 88681713
propanoate;hydrate
CID 19032208

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyacetate);titanium(2+);dihydrate?
The IUPAC name of bis(2-hydroxyacetate);titanium(2+);dihydrate (CID 87109792) is bis(2-hydroxyacetate);titanium(2+);dihydrate.
What is the SMILES notation for bis(2-hydroxyacetate);titanium(2+);dihydrate?
The canonical SMILES for bis(2-hydroxyacetate);titanium(2+);dihydrate is O.O.O=C([O-])CO.O=C([O-])CO.[Ti+2].
What is the InChIKey of bis(2-hydroxyacetate);titanium(2+);dihydrate?
The InChIKey is PEJKVAIPVCWMST-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O3.2H2O.Ti/c2*3-1-2(4)5;;;/h2*3H,1H2,(H,4,5);2*1H2;/q;;;;+2/p-2.
What are the key properties of bis(2-hydroxyacetate);titanium(2+);dihydrate?
bis(2-hydroxyacetate);titanium(2+);dihydrate has a molecular weight of 233.98 g/mol, XLogP of -6.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyacetate);titanium(2+);dihydrate is sourced from PubChem (CID 87109792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).