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

C18H20Cl2Ti-2 — CID 22555133

IUPAC1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+2].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;;;/h1-7H;6H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyCSDWTWVHXZIWFW-UHFFFAOYSA-L
MW355.13 g/mol
LogP-0.71
Rot. Bonds

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

1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride (PubChem CID 22555133) has the molecular formula C18H20Cl2Ti-2 and a molecular weight of 355.13 g/mol. Its IUPAC name is 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride.

Molecular Properties

Compound Name1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride
PubChem CID22555133
Molecular FormulaC18H20Cl2Ti-2
Molecular Weight355.13 g/mol
Exact Mass354.04
IUPAC Name1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+2].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;;;/h1-7H;6H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyCSDWTWVHXZIWFW-UHFFFAOYSA-L
XLogP-0.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride with MolForge

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Related Compounds

1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87514830
dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
CID 157067966
CID 173020182
CID 173020182
CID 22311255
CID 22311255
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
CID 22327850
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
CID 18925878
magnesium;1H-inden-1-ide;bromide
CID 12823996

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
The IUPAC name of 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride (CID 22555133) is 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride.
What is the SMILES notation for 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
The canonical SMILES for 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride is CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+2].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
The InChIKey is CSDWTWVHXZIWFW-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C9H13.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-5-7(2)9(4)8(6)3;;;/h1-7H;6H,1-4H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride has a molecular weight of 355.13 g/mol, XLogP of -0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride is sourced from PubChem (CID 22555133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).