[chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride

C21H21Cl3SiTi-2 — CID 158732194

IUPAC[chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride
SMILESCCC[Si](Cl)=[Ti+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C3H7ClSi.2ClH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-3-5-4;;;/h2*1-7H;2-3H2,1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWFPKRRLDTQHKFF-UHFFFAOYSA-L
MW455.71 g/mol
LogP0.80
Rot. Bonds2

About [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride

[chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride (PubChem CID 158732194) has the molecular formula C21H21Cl3SiTi-2 and a molecular weight of 455.71 g/mol. Its IUPAC name is [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride.

Molecular Properties

Compound Name[chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride
PubChem CID158732194
Molecular FormulaC21H21Cl3SiTi-2
Molecular Weight455.71 g/mol
Exact Mass454.00
IUPAC Name[chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride
SMILESCCC[Si](Cl)=[Ti+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C3H7ClSi.2ClH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-3-5-4;;;/h2*1-7H;2-3H2,1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWFPKRRLDTQHKFF-UHFFFAOYSA-L
XLogP0.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.71
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 158239118
CID 173265041
CID 173265041
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
tris(dipropylazanide);1H-inden-1-ide;titanium(4+)
CID 158782041
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
CID 22327850
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride
CID 22599312
bis(dimethylsilylidenehafnium(2+));tetrakis(1H-inden-1-ide);dichloride
CID 22347931
ethanolate;hafnium;1H-inden-1-ide
CID 159970065
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
CID 173275600

Frequently Asked Questions

What is the IUPAC name of [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride?
The IUPAC name of [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride (CID 158732194) is [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride.
What is the SMILES notation for [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride?
The canonical SMILES for [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride is CCC[Si](Cl)=[Ti+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride?
The InChIKey is WFPKRRLDTQHKFF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C3H7ClSi.2ClH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-3-5-4;;;/h2*1-7H;2-3H2,1H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride?
[chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride has a molecular weight of 455.71 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(propyl)silylidene]titanium(2+);bis(1H-inden-1-ide);dichloride is sourced from PubChem (CID 158732194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).