titanium(2+);toluene

C14H16Ti+2 — CID 22023820

IUPACtitanium(2+);toluene
SMILESCc1ccccc1.Cc1ccccc1.[Ti+2]
InChIInChI=1S/2C7H8.Ti/c2*1-7-5-3-2-4-6-7;/h2*2-6H,1H3;/q;;+2
InChIKeyBGDNNOVTPDMYSZ-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.99
Rot. Bonds

About titanium(2+);toluene

titanium(2+);toluene (PubChem CID 22023820) has the molecular formula C14H16Ti+2 and a molecular weight of 232.15 g/mol. Its IUPAC name is titanium(2+);toluene.

Molecular Properties

Compound Nametitanium(2+);toluene
PubChem CID22023820
Molecular FormulaC14H16Ti+2
Molecular Weight232.15 g/mol
Exact Mass232.07
IUPAC Nametitanium(2+);toluene
SMILESCc1ccccc1.Cc1ccccc1.[Ti+2]
InChIInChI=1S/2C7H8.Ti/c2*1-7-5-3-2-4-6-7;/h2*2-6H,1H3;/q;;+2
InChIKeyBGDNNOVTPDMYSZ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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toluene;dihydrochloride
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ethane;toluene
CID 91350799
toluene;hydrate
CID 22272177
toluene;tetrahydrochloride
CID 174345064
aluminum toluene
CID 21283935
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CID 159315944
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CID 173370039

Frequently Asked Questions

What is the IUPAC name of titanium(2+);toluene?
The IUPAC name of titanium(2+);toluene (CID 22023820) is titanium(2+);toluene.
What is the SMILES notation for titanium(2+);toluene?
The canonical SMILES for titanium(2+);toluene is Cc1ccccc1.Cc1ccccc1.[Ti+2].
What is the InChIKey of titanium(2+);toluene?
The InChIKey is BGDNNOVTPDMYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.Ti/c2*1-7-5-3-2-4-6-7;/h2*2-6H,1H3;/q;;+2.
What are the key properties of titanium(2+);toluene?
titanium(2+);toluene has a molecular weight of 232.15 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(2+);toluene is sourced from PubChem (CID 22023820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).