2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride

C11H19Cl2OSiTi — CID 87975732

IUPAC2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride
SMILESCCO[Si](C)(C)CCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-4-12-13(2,3)10-9-11-7-5-6-8-11;;;/h5,7H,4,6,9-10H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyKKIHQIWESNXORE-UHFFFAOYSA-L
MW314.13 g/mol
LogP-2.69
Rot. Bonds5

About 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride

2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride (PubChem CID 87975732) has the molecular formula C11H19Cl2OSiTi and a molecular weight of 314.13 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride
PubChem CID87975732
Molecular FormulaC11H19Cl2OSiTi
Molecular Weight314.13 g/mol
Exact Mass313.01
IUPAC Name2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride
SMILESCCO[Si](C)(C)CCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-4-12-13(2,3)10-9-11-7-5-6-8-11;;;/h5,7H,4,6,9-10H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyKKIHQIWESNXORE-UHFFFAOYSA-L
XLogP-2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);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-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride (CID 87975732) is 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride is CCO[Si](C)(C)CCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride?
The InChIKey is KKIHQIWESNXORE-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H19OSi.2ClH.Ti/c1-4-12-13(2,3)10-9-11-7-5-6-8-11;;;/h5,7H,4,6,9-10H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride?
2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride has a molecular weight of 314.13 g/mol, XLogP of -2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 87975732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).