2-butyl-1H-inden-1-ide;titanium(3+);diiodide

C13H15I2Ti — CID 174711476

IUPAC2-butyl-1H-inden-1-ide;titanium(3+);diiodide
SMILESCCCCc1cc2ccccc2[cH-]1.[I-].[I-].[Ti+3]
InChIInChI=1S/C13H15.2HI.Ti/c1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;/h4-5,7-10H,2-3,6H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyHPFPIDCHFOGFGV-UHFFFAOYSA-L
MW472.94 g/mol
LogP-2.09
Rot. Bonds3

About 2-butyl-1H-inden-1-ide;titanium(3+);diiodide

2-butyl-1H-inden-1-ide;titanium(3+);diiodide (PubChem CID 174711476) has the molecular formula C13H15I2Ti and a molecular weight of 472.94 g/mol. Its IUPAC name is 2-butyl-1H-inden-1-ide;titanium(3+);diiodide.

Molecular Properties

Compound Name2-butyl-1H-inden-1-ide;titanium(3+);diiodide
PubChem CID174711476
Molecular FormulaC13H15I2Ti
Molecular Weight472.94 g/mol
Exact Mass472.87
IUPAC Name2-butyl-1H-inden-1-ide;titanium(3+);diiodide
SMILESCCCCc1cc2ccccc2[cH-]1.[I-].[I-].[Ti+3]
InChIInChI=1S/C13H15.2HI.Ti/c1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;/h4-5,7-10H,2-3,6H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyHPFPIDCHFOGFGV-UHFFFAOYSA-L
XLogP-2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1H-inden-1-ide;chromium
CID 150230338
bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride
CID 174396357
bis(2-butyl-1H-inden-1-ide);hafnium(4+);dichloride
CID 21080024
2-butyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 161427368
2-butyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 172730599
dichloro(propan-2-ylidene)zirconium;bis(2-hexyl-1H-inden-1-ide)
CID 173282902
CID 172856442
CID 172856442
CID 172840346
CID 172840346
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;2-propyl-1H-inden-1-ide;zirconium(4+);diiodide
CID 172803359
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
CID 154426269

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-inden-1-ide;titanium(3+);diiodide?
The IUPAC name of 2-butyl-1H-inden-1-ide;titanium(3+);diiodide (CID 174711476) is 2-butyl-1H-inden-1-ide;titanium(3+);diiodide.
What is the SMILES notation for 2-butyl-1H-inden-1-ide;titanium(3+);diiodide?
The canonical SMILES for 2-butyl-1H-inden-1-ide;titanium(3+);diiodide is CCCCc1cc2ccccc2[cH-]1.[I-].[I-].[Ti+3].
What is the InChIKey of 2-butyl-1H-inden-1-ide;titanium(3+);diiodide?
The InChIKey is HPFPIDCHFOGFGV-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15.2HI.Ti/c1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;/h4-5,7-10H,2-3,6H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-butyl-1H-inden-1-ide;titanium(3+);diiodide?
2-butyl-1H-inden-1-ide;titanium(3+);diiodide has a molecular weight of 472.94 g/mol, XLogP of -2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-inden-1-ide;titanium(3+);diiodide is sourced from PubChem (CID 174711476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).