dichlorotitanium;2,3-diethylcyclopenta-1,3-diene

C9H14Cl2Ti — CID 174352745

IUPACdichlorotitanium;2,3-diethylcyclopenta-1,3-diene
SMILESCCC1=CCC=C1CC.Cl[Ti]Cl
InChIInChI=1S/C9H14.2ClH.Ti/c1-3-8-6-5-7-9(8)4-2;;;/h6-7H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyYQAVKDMLUHMFOO-UHFFFAOYSA-L
MW240.98 g/mol
LogP4.44
Rot. Bonds2

About dichlorotitanium;2,3-diethylcyclopenta-1,3-diene

dichlorotitanium;2,3-diethylcyclopenta-1,3-diene (PubChem CID 174352745) has the molecular formula C9H14Cl2Ti and a molecular weight of 240.98 g/mol. Its IUPAC name is dichlorotitanium;2,3-diethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorotitanium;2,3-diethylcyclopenta-1,3-diene
PubChem CID174352745
Molecular FormulaC9H14Cl2Ti
Molecular Weight240.98 g/mol
Exact Mass240.00
IUPAC Namedichlorotitanium;2,3-diethylcyclopenta-1,3-diene
SMILESCCC1=CCC=C1CC.Cl[Ti]Cl
InChIInChI=1S/C9H14.2ClH.Ti/c1-3-8-6-5-7-9(8)4-2;;;/h6-7H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyYQAVKDMLUHMFOO-UHFFFAOYSA-L
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.98
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;2,3-diethylcyclopenta-1,3-diene?
The IUPAC name of dichlorotitanium;2,3-diethylcyclopenta-1,3-diene (CID 174352745) is dichlorotitanium;2,3-diethylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorotitanium;2,3-diethylcyclopenta-1,3-diene?
The canonical SMILES for dichlorotitanium;2,3-diethylcyclopenta-1,3-diene is CCC1=CCC=C1CC.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;2,3-diethylcyclopenta-1,3-diene?
The InChIKey is YQAVKDMLUHMFOO-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14.2ClH.Ti/c1-3-8-6-5-7-9(8)4-2;;;/h6-7H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;2,3-diethylcyclopenta-1,3-diene?
dichlorotitanium;2,3-diethylcyclopenta-1,3-diene has a molecular weight of 240.98 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;2,3-diethylcyclopenta-1,3-diene is sourced from PubChem (CID 174352745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).