(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride

C7H12Cl2SiTi — CID 175042013

IUPAC(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride
SMILESCC1=CC([SiH3])=C(C)C1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C7H12Si.2ClH.Ti/c1-5-3-6(2)7(8)4-5;;;/h4H,3H2,1-2,8H3;2*1H;/q;;;+2/p-2
InChIKeyHTWPFPOUQQTMAP-UHFFFAOYSA-L
MW243.03 g/mol
LogP-5.02
Rot. Bonds

About (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride

(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride (PubChem CID 175042013) has the molecular formula C7H12Cl2SiTi and a molecular weight of 243.03 g/mol. Its IUPAC name is (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride.

Molecular Properties

Compound Name(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride
PubChem CID175042013
Molecular FormulaC7H12Cl2SiTi
Molecular Weight243.03 g/mol
Exact Mass241.96
IUPAC Name(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride
SMILESCC1=CC([SiH3])=C(C)C1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C7H12Si.2ClH.Ti/c1-5-3-6(2)7(8)4-5;;;/h4H,3H2,1-2,8H3;2*1H;/q;;;+2/p-2
InChIKeyHTWPFPOUQQTMAP-UHFFFAOYSA-L
XLogP-5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 5-5.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride?
The IUPAC name of (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride (CID 175042013) is (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride.
What is the SMILES notation for (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride?
The canonical SMILES for (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride is CC1=CC([SiH3])=C(C)C1.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride?
The InChIKey is HTWPFPOUQQTMAP-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H12Si.2ClH.Ti/c1-5-3-6(2)7(8)4-5;;;/h4H,3H2,1-2,8H3;2*1H;/q;;;+2/p-2.
What are the key properties of (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride?
(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride has a molecular weight of 243.03 g/mol, XLogP of -5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride is sourced from PubChem (CID 175042013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).