bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride

C26H30Cl2Ti — CID 174396357

IUPACbis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride
SMILESCCCCc1cc2ccccc2[cH-]1.CCCCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C13H15.2ClH.Ti/c2*1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;/h2*4-5,7-10H,2-3,6H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUFPIBWCUJAMMNV-UHFFFAOYSA-L
MW461.30 g/mol
LogP1.81
Rot. Bonds6

About bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride

bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride (PubChem CID 174396357) has the molecular formula C26H30Cl2Ti and a molecular weight of 461.30 g/mol. Its IUPAC name is bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride
PubChem CID174396357
Molecular FormulaC26H30Cl2Ti
Molecular Weight461.30 g/mol
Exact Mass460.12
IUPAC Namebis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride
SMILESCCCCc1cc2ccccc2[cH-]1.CCCCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C13H15.2ClH.Ti/c2*1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;/h2*4-5,7-10H,2-3,6H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUFPIBWCUJAMMNV-UHFFFAOYSA-L
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.30
LogP ≤ 51.81
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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Related Compounds

bis(2-butyl-1H-inden-1-ide);hafnium(4+);dichloride
CID 21080024
2-butyl-1H-inden-1-ide;chromium
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2-butyl-1H-inden-1-ide;titanium(3+);diiodide
CID 174711476
2-butyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 161427368
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CID 172730599
dichloro(propan-2-ylidene)zirconium;bis(2-hexyl-1H-inden-1-ide)
CID 173282902
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
CID 172856442
CID 172856442
CID 172840346
CID 172840346
CID 173161362
CID 173161362
cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
CID 154426269

Frequently Asked Questions

What is the IUPAC name of bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride?
The IUPAC name of bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride (CID 174396357) is bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride.
What is the SMILES notation for bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride?
The canonical SMILES for bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride is CCCCc1cc2ccccc2[cH-]1.CCCCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride?
The InChIKey is UFPIBWCUJAMMNV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H15.2ClH.Ti/c2*1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;/h2*4-5,7-10H,2-3,6H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride?
bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride has a molecular weight of 461.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride is sourced from PubChem (CID 174396357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).