(oxygen(2-));decakis(titanium(4+))

O100Ti10-160 — CID 173162721

IUPAC(oxygen(2-));decakis(titanium(4+))
SMILES[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/100O.10Ti/q100*-2;10*+4
InChIKeyYIWVGJHEFMFFAE-UHFFFAOYSA-N
MW2078.57 g/mol
LogP-11.90
Rot. Bonds

About (oxygen(2-));decakis(titanium(4+))

(oxygen(2-));decakis(titanium(4+)) (PubChem CID 173162721) has the molecular formula O100Ti10-160 and a molecular weight of 2078.57 g/mol. Its IUPAC name is (oxygen(2-));decakis(titanium(4+)).

Molecular Properties

Compound Name(oxygen(2-));decakis(titanium(4+))
PubChem CID173162721
Molecular FormulaO100Ti10-160
Molecular Weight2078.57 g/mol
Exact Mass2079.06
IUPAC Name(oxygen(2-));decakis(titanium(4+))
SMILES[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/100O.10Ti/q100*-2;10*+4
InChIKeyYIWVGJHEFMFFAE-UHFFFAOYSA-N
XLogP-11.90
TPSA2850.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms110
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002078.57
LogP ≤ 5-11.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (oxygen(2-));decakis(titanium(4+))?
The IUPAC name of (oxygen(2-));decakis(titanium(4+)) (CID 173162721) is (oxygen(2-));decakis(titanium(4+)).
What is the SMILES notation for (oxygen(2-));decakis(titanium(4+))?
The canonical SMILES for (oxygen(2-));decakis(titanium(4+)) is [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].
What is the InChIKey of (oxygen(2-));decakis(titanium(4+))?
The InChIKey is YIWVGJHEFMFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/100O.10Ti/q100*-2;10*+4.
What are the key properties of (oxygen(2-));decakis(titanium(4+))?
(oxygen(2-));decakis(titanium(4+)) has a molecular weight of 2078.57 g/mol, XLogP of -11.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (oxygen(2-));decakis(titanium(4+)) is sourced from PubChem (CID 173162721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).