bis(5-propylcyclopenta-1,3-diene);titanium(2+)

C16H22Ti — CID 154426293

IUPACbis(5-propylcyclopenta-1,3-diene);titanium(2+)
SMILESCCC[c-]1cccc1.CCC[c-]1cccc1.[Ti+2]
InChIInChI=1S/2C8H11.Ti/c2*1-2-5-8-6-3-4-7-8;/h2*3-4,6-7H,2,5H2,1H3;/q2*-1;+2
InChIKeyHWILWEIQILUHNB-UHFFFAOYSA-N
MW262.22 g/mol
LogP4.71
Rot. Bonds4

About bis(5-propylcyclopenta-1,3-diene);titanium(2+)

bis(5-propylcyclopenta-1,3-diene);titanium(2+) (PubChem CID 154426293) has the molecular formula C16H22Ti and a molecular weight of 262.22 g/mol. Its IUPAC name is bis(5-propylcyclopenta-1,3-diene);titanium(2+).

Molecular Properties

Compound Namebis(5-propylcyclopenta-1,3-diene);titanium(2+)
PubChem CID154426293
Molecular FormulaC16H22Ti
Molecular Weight262.22 g/mol
Exact Mass262.12
IUPAC Namebis(5-propylcyclopenta-1,3-diene);titanium(2+)
SMILESCCC[c-]1cccc1.CCC[c-]1cccc1.[Ti+2]
InChIInChI=1S/2C8H11.Ti/c2*1-2-5-8-6-3-4-7-8;/h2*3-4,6-7H,2,5H2,1H3;/q2*-1;+2
InChIKeyHWILWEIQILUHNB-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(5-propylcyclopenta-1,3-diene);titanium(2+)?
The IUPAC name of bis(5-propylcyclopenta-1,3-diene);titanium(2+) (CID 154426293) is bis(5-propylcyclopenta-1,3-diene);titanium(2+).
What is the SMILES notation for bis(5-propylcyclopenta-1,3-diene);titanium(2+)?
The canonical SMILES for bis(5-propylcyclopenta-1,3-diene);titanium(2+) is CCC[c-]1cccc1.CCC[c-]1cccc1.[Ti+2].
What is the InChIKey of bis(5-propylcyclopenta-1,3-diene);titanium(2+)?
The InChIKey is HWILWEIQILUHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.Ti/c2*1-2-5-8-6-3-4-7-8;/h2*3-4,6-7H,2,5H2,1H3;/q2*-1;+2.
What are the key properties of bis(5-propylcyclopenta-1,3-diene);titanium(2+)?
bis(5-propylcyclopenta-1,3-diene);titanium(2+) has a molecular weight of 262.22 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-propylcyclopenta-1,3-diene);titanium(2+) is sourced from PubChem (CID 154426293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).