titanium;bis(1,3,5-trimethylbenzene)

C18H24Ti — CID 12633333

IUPACtitanium;bis(1,3,5-trimethylbenzene)
SMILESCc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[Ti]
InChIInChI=1S/2C9H12.Ti/c2*1-7-4-8(2)6-9(3)5-7;/h2*4-6H,1-3H3;
InChIKeyFZLKBKAIGGOJGQ-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.22
Rot. Bonds

About titanium;bis(1,3,5-trimethylbenzene)

titanium;bis(1,3,5-trimethylbenzene) (PubChem CID 12633333) has the molecular formula C18H24Ti and a molecular weight of 288.26 g/mol. Its IUPAC name is titanium;bis(1,3,5-trimethylbenzene).

Molecular Properties

Compound Nametitanium;bis(1,3,5-trimethylbenzene)
PubChem CID12633333
Molecular FormulaC18H24Ti
Molecular Weight288.26 g/mol
Exact Mass288.14
IUPAC Nametitanium;bis(1,3,5-trimethylbenzene)
SMILESCc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[Ti]
InChIInChI=1S/2C9H12.Ti/c2*1-7-4-8(2)6-9(3)5-7;/h2*4-6H,1-3H3;
InChIKeyFZLKBKAIGGOJGQ-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of titanium;bis(1,3,5-trimethylbenzene)?
The IUPAC name of titanium;bis(1,3,5-trimethylbenzene) (CID 12633333) is titanium;bis(1,3,5-trimethylbenzene).
What is the SMILES notation for titanium;bis(1,3,5-trimethylbenzene)?
The canonical SMILES for titanium;bis(1,3,5-trimethylbenzene) is Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[Ti].
What is the InChIKey of titanium;bis(1,3,5-trimethylbenzene)?
The InChIKey is FZLKBKAIGGOJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.Ti/c2*1-7-4-8(2)6-9(3)5-7;/h2*4-6H,1-3H3;.
What are the key properties of titanium;bis(1,3,5-trimethylbenzene)?
titanium;bis(1,3,5-trimethylbenzene) has a molecular weight of 288.26 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;bis(1,3,5-trimethylbenzene) is sourced from PubChem (CID 12633333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).