bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium

C16H26Cl2Si2Ti-2 — CID 22074051

IUPACbis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium
SMILESC[Si](C)(C)C1=[C-]CC=C1.C[Si](C)(C)C1=[C-]CC=C1.Cl[Ti]Cl
InChIInChI=1S/2C8H13Si.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyJXIVIDZFJTZTQJ-UHFFFAOYSA-L
MW393.33 g/mol
LogP6.48
Rot. Bonds2

About bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium

bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium (PubChem CID 22074051) has the molecular formula C16H26Cl2Si2Ti-2 and a molecular weight of 393.33 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium
PubChem CID22074051
Molecular FormulaC16H26Cl2Si2Ti-2
Molecular Weight393.33 g/mol
Exact Mass392.04
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium
SMILESC[Si](C)(C)C1=[C-]CC=C1.C[Si](C)(C)C1=[C-]CC=C1.Cl[Ti]Cl
InChIInChI=1S/2C8H13Si.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyJXIVIDZFJTZTQJ-UHFFFAOYSA-L
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.33
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium (CID 22074051) is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium is C[Si](C)(C)C1=[C-]CC=C1.C[Si](C)(C)C1=[C-]CC=C1.Cl[Ti]Cl.
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium?
The InChIKey is JXIVIDZFJTZTQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H13Si.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium?
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium has a molecular weight of 393.33 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichlorotitanium is sourced from PubChem (CID 22074051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).