2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride

C12H23Cl2OSi2Ti — CID 87976130

IUPAC2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride
SMILESC[Si](C)(C)O[Si](C)(C)CCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H23OSi2.2ClH.Ti/c1-14(2,3)13-15(4,5)11-10-12-8-6-7-9-12;;;/h6,8H,7,10-11H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyYKUQFMMMHSGQPJ-UHFFFAOYSA-L
MW358.26 g/mol
LogP-1.87
Rot. Bonds5

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

2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride (PubChem CID 87976130) has the molecular formula C12H23Cl2OSi2Ti and a molecular weight of 358.26 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride
PubChem CID87976130
Molecular FormulaC12H23Cl2OSi2Ti
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC Name2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride
SMILESC[Si](C)(C)O[Si](C)(C)CCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H23OSi2.2ClH.Ti/c1-14(2,3)13-15(4,5)11-10-12-8-6-7-9-12;;;/h6,8H,7,10-11H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyYKUQFMMMHSGQPJ-UHFFFAOYSA-L
XLogP-1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 5-1.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride (CID 87976130) is 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride is C[Si](C)(C)O[Si](C)(C)CCC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride?
The InChIKey is YKUQFMMMHSGQPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H23OSi2.2ClH.Ti/c1-14(2,3)13-15(4,5)11-10-12-8-6-7-9-12;;;/h6,8H,7,10-11H2,1-5H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride?
2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride has a molecular weight of 358.26 g/mol, XLogP of -1.87, 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-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride is sourced from PubChem (CID 87976130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).