4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride

C10H15Cl3OTi — CID 173140689

IUPAC4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride
SMILESCOCCC1=[C-]C(C)=C(C)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C10H15O.3ClH.Ti/c1-8-6-10(4-5-11-3)7-9(8)2;;;;/h4-6H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBIYIYBSIKBIFDX-UHFFFAOYSA-K
MW305.46 g/mol
LogP-6.50
Rot. Bonds3

About 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride

4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride (PubChem CID 173140689) has the molecular formula C10H15Cl3OTi and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride
PubChem CID173140689
Molecular FormulaC10H15Cl3OTi
Molecular Weight305.46 g/mol
Exact Mass303.97
IUPAC Name4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride
SMILESCOCCC1=[C-]C(C)=C(C)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C10H15O.3ClH.Ti/c1-8-6-10(4-5-11-3)7-9(8)2;;;;/h4-6H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBIYIYBSIKBIFDX-UHFFFAOYSA-K
XLogP-6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 5-6.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride?
The IUPAC name of 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride (CID 173140689) is 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride.
What is the SMILES notation for 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride?
The canonical SMILES for 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride is COCCC1=[C-]C(C)=C(C)C1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride?
The InChIKey is BIYIYBSIKBIFDX-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15O.3ClH.Ti/c1-8-6-10(4-5-11-3)7-9(8)2;;;;/h4-6H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride?
4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride has a molecular weight of 305.46 g/mol, XLogP of -6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1,2-dimethylcyclopenta-1,3-diene;titanium(4+);trichloride is sourced from PubChem (CID 173140689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).