5-cyclopentylcyclopenta-1,3-diene;diiodotitanium

C10H14I2Ti — CID 174711329

IUPAC5-cyclopentylcyclopenta-1,3-diene;diiodotitanium
SMILESC1=CC(C2CCCC2)C=C1.I[Ti]I
InChIInChI=1S/C10H14.2HI.Ti/c1-2-6-9(5-1)10-7-3-4-8-10;;;/h1-2,5-6,9-10H,3-4,7-8H2;2*1H;/q;;;+2/p-2
InChIKeyVSWMZWKVLHXXEQ-UHFFFAOYSA-L
MW435.90 g/mol
LogP4.69
Rot. Bonds1

About 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium

5-cyclopentylcyclopenta-1,3-diene;diiodotitanium (PubChem CID 174711329) has the molecular formula C10H14I2Ti and a molecular weight of 435.90 g/mol. Its IUPAC name is 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium.

Molecular Properties

Compound Name5-cyclopentylcyclopenta-1,3-diene;diiodotitanium
PubChem CID174711329
Molecular FormulaC10H14I2Ti
Molecular Weight435.90 g/mol
Exact Mass435.87
IUPAC Name5-cyclopentylcyclopenta-1,3-diene;diiodotitanium
SMILESC1=CC(C2CCCC2)C=C1.I[Ti]I
InChIInChI=1S/C10H14.2HI.Ti/c1-2-6-9(5-1)10-7-3-4-8-10;;;/h1-2,5-6,9-10H,3-4,7-8H2;2*1H;/q;;;+2/p-2
InChIKeyVSWMZWKVLHXXEQ-UHFFFAOYSA-L
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.90
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium?
The IUPAC name of 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium (CID 174711329) is 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium.
What is the SMILES notation for 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium?
The canonical SMILES for 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium is C1=CC(C2CCCC2)C=C1.I[Ti]I.
What is the InChIKey of 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium?
The InChIKey is VSWMZWKVLHXXEQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14.2HI.Ti/c1-2-6-9(5-1)10-7-3-4-8-10;;;/h1-2,5-6,9-10H,3-4,7-8H2;2*1H;/q;;;+2/p-2.
What are the key properties of 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium?
5-cyclopentylcyclopenta-1,3-diene;diiodotitanium has a molecular weight of 435.90 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylcyclopenta-1,3-diene;diiodotitanium is sourced from PubChem (CID 174711329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).