[chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

C21H27Cl3SiTi-2 — CID 158239118

IUPAC[chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCCC[Si](Cl)=[Ti+2].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.C3H7ClSi.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;1-2-3-5-4;;;/h1-7H;5H,1-4H3;2-3H2,1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPSKVTLLILIDPCK-UHFFFAOYSA-L
MW461.76 g/mol
LogP0.88
Rot. Bonds2

About [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

[chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (PubChem CID 158239118) has the molecular formula C21H27Cl3SiTi-2 and a molecular weight of 461.76 g/mol. Its IUPAC name is [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Name[chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
PubChem CID158239118
Molecular FormulaC21H27Cl3SiTi-2
Molecular Weight461.76 g/mol
Exact Mass460.04
IUPAC Name[chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCCC[Si](Cl)=[Ti+2].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.C3H7ClSi.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;1-2-3-5-4;;;/h1-7H;5H,1-4H3;2-3H2,1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPSKVTLLILIDPCK-UHFFFAOYSA-L
XLogP0.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.76
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (CID 158239118) is [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is CCC[Si](Cl)=[Ti+2].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.
What is the InChIKey of [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The InChIKey is PSKVTLLILIDPCK-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C9H13.C3H7ClSi.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;1-2-3-5-4;;;/h1-7H;5H,1-4H3;2-3H2,1H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of [chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
[chloro(propyl)silylidene]titanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride has a molecular weight of 461.76 g/mol, XLogP of 0.88, 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+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 158239118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).