benzene;titanium

C12H12Ti — CID 12633331

IUPACbenzene;titanium
SMILES[Ti].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.Ti/c2*1-2-4-6-5-3-1;/h2*1-6H;
InChIKeyLJCLVVZPBXIJJG-UHFFFAOYSA-N
MW204.09 g/mol
LogP3.37
Rot. Bonds

About benzene;titanium

benzene;titanium (PubChem CID 12633331) has the molecular formula C12H12Ti and a molecular weight of 204.09 g/mol. Its IUPAC name is benzene;titanium.

Molecular Properties

Compound Namebenzene;titanium
PubChem CID12633331
Molecular FormulaC12H12Ti
Molecular Weight204.09 g/mol
Exact Mass204.04
IUPAC Namebenzene;titanium
SMILES[Ti].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.Ti/c2*1-2-4-6-5-3-1;/h2*1-6H;
InChIKeyLJCLVVZPBXIJJG-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;titanium?
The IUPAC name of benzene;titanium (CID 12633331) is benzene;titanium.
What is the SMILES notation for benzene;titanium?
The canonical SMILES for benzene;titanium is [Ti].c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;titanium?
The InChIKey is LJCLVVZPBXIJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.Ti/c2*1-2-4-6-5-3-1;/h2*1-6H;.
What are the key properties of benzene;titanium?
benzene;titanium has a molecular weight of 204.09 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;titanium is sourced from PubChem (CID 12633331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).