1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride

C15H14Cl2Ti — CID 87200879

IUPAC1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H7.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-2-3-5-6;;;/h1-7H;2,4H,3H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyVUNLFOZHNDUDQA-UHFFFAOYSA-L
MW313.05 g/mol
LogP-1.74
Rot. Bonds

About 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride

1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride (PubChem CID 87200879) has the molecular formula C15H14Cl2Ti and a molecular weight of 313.05 g/mol. Its IUPAC name is 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride.

Molecular Properties

Compound Name1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride
PubChem CID87200879
Molecular FormulaC15H14Cl2Ti
Molecular Weight313.05 g/mol
Exact Mass312.00
IUPAC Name1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H7.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-2-3-5-6;;;/h1-7H;2,4H,3H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyVUNLFOZHNDUDQA-UHFFFAOYSA-L
XLogP-1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.05
LogP ≤ 5-1.74
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

azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
CID 22672391
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
butane;2-butylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(2+)
CID 173283221
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
1-(1H-inden-1-id-2-yl)pyrazole;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 87863300
CID 22311255
CID 22311255
dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
CID 157067966
CID 173020182
CID 173020182

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
The IUPAC name of 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride (CID 87200879) is 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride.
What is the SMILES notation for 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
The canonical SMILES for 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride is CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
The InChIKey is VUNLFOZHNDUDQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C6H7.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-2-3-5-6;;;/h1-7H;2,4H,3H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride?
1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride has a molecular weight of 313.05 g/mol, XLogP of -1.74, 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;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride is sourced from PubChem (CID 87200879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).