1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium

C7H14O7Ti — CID 174822799

IUPAC1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium
SMILESCC(O)C(=O)O.OC1OCCOC1O.[Ti]
InChIInChI=1S/C4H8O4.C3H6O3.Ti/c5-3-4(6)8-2-1-7-3;1-2(4)3(5)6;/h3-6H,1-2H2;2,4H,1H3,(H,5,6);
InChIKeyCLAMUSVGUHQQSO-UHFFFAOYSA-N
MW258.05 g/mol
LogP-1.88
Rot. Bonds1

About 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium

1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium (PubChem CID 174822799) has the molecular formula C7H14O7Ti and a molecular weight of 258.05 g/mol. Its IUPAC name is 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium.

Molecular Properties

Compound Name1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium
PubChem CID174822799
Molecular FormulaC7H14O7Ti
Molecular Weight258.05 g/mol
Exact Mass258.02
IUPAC Name1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium
SMILESCC(O)C(=O)O.OC1OCCOC1O.[Ti]
InChIInChI=1S/C4H8O4.C3H6O3.Ti/c5-3-4(6)8-2-1-7-3;1-2(4)3(5)6;/h3-6H,1-2H2;2,4H,1H3,(H,5,6);
InChIKeyCLAMUSVGUHQQSO-UHFFFAOYSA-N
XLogP-1.88
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium?
The IUPAC name of 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium (CID 174822799) is 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium.
What is the SMILES notation for 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium?
The canonical SMILES for 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium is CC(O)C(=O)O.OC1OCCOC1O.[Ti].
What is the InChIKey of 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium?
The InChIKey is CLAMUSVGUHQQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4.C3H6O3.Ti/c5-3-4(6)8-2-1-7-3;1-2(4)3(5)6;/h3-6H,1-2H2;2,4H,1H3,(H,5,6);.
What are the key properties of 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium?
1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium has a molecular weight of 258.05 g/mol, XLogP of -1.88, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium is sourced from PubChem (CID 174822799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).