methanolate;titanium(4+);dichloride

C2H6Cl2O2Ti — CID 173300044

IUPACmethanolate;titanium(4+);dichloride
SMILESC[O-].C[O-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2CH3O.2ClH.Ti/c2*1-2;;;/h2*1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyZALOHOLPKHYYAX-UHFFFAOYSA-L
MW180.84 g/mol
LogP-8.04
Rot. Bonds

About methanolate;titanium(4+);dichloride

methanolate;titanium(4+);dichloride (PubChem CID 173300044) has the molecular formula C2H6Cl2O2Ti and a molecular weight of 180.84 g/mol. Its IUPAC name is methanolate;titanium(4+);dichloride.

Molecular Properties

Compound Namemethanolate;titanium(4+);dichloride
PubChem CID173300044
Molecular FormulaC2H6Cl2O2Ti
Molecular Weight180.84 g/mol
Exact Mass179.92
IUPAC Namemethanolate;titanium(4+);dichloride
SMILESC[O-].C[O-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2CH3O.2ClH.Ti/c2*1-2;;;/h2*1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyZALOHOLPKHYYAX-UHFFFAOYSA-L
XLogP-8.04
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.84
LogP ≤ 5-8.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanolate;titanium(4+);dichloride?
The IUPAC name of methanolate;titanium(4+);dichloride (CID 173300044) is methanolate;titanium(4+);dichloride.
What is the SMILES notation for methanolate;titanium(4+);dichloride?
The canonical SMILES for methanolate;titanium(4+);dichloride is C[O-].C[O-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of methanolate;titanium(4+);dichloride?
The InChIKey is ZALOHOLPKHYYAX-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH3O.2ClH.Ti/c2*1-2;;;/h2*1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of methanolate;titanium(4+);dichloride?
methanolate;titanium(4+);dichloride has a molecular weight of 180.84 g/mol, XLogP of -8.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;titanium(4+);dichloride is sourced from PubChem (CID 173300044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).