ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

C20H24Cl2Ti-2 — CID 158696058

IUPACethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC=[Ti+2].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.C2H4.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;1-2;;;/h1-7H;5H,1-4H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAAXBKKSYUKUFQQ-UHFFFAOYSA-L
MW383.19 g/mol
LogP-0.44
Rot. Bonds

About ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (PubChem CID 158696058) has the molecular formula C20H24Cl2Ti-2 and a molecular weight of 383.19 g/mol. Its IUPAC name is ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Nameethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
PubChem CID158696058
Molecular FormulaC20H24Cl2Ti-2
Molecular Weight383.19 g/mol
Exact Mass382.07
IUPAC Nameethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC=[Ti+2].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.C2H4.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;1-2;;;/h1-7H;5H,1-4H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAAXBKKSYUKUFQQ-UHFFFAOYSA-L
XLogP-0.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 5-0.44
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 ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (CID 158696058) is ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is CC=[Ti+2].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.
What is the InChIKey of ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The InChIKey is AAXBKKSYUKUFQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C9H13.C2H4.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;1-2;;;/h1-7H;5H,1-4H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride has a molecular weight of 383.19 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 158696058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).