[2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride

C20H23Cl2SiTi — CID 87514554

IUPAC[2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride
SMILESCCCCC1=C(C2=[C-]c3ccccc3C2=[Si](C)C)CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C20H23Si.2ClH.Ti/c1-4-5-9-15-11-8-13-17(15)19-14-16-10-6-7-12-18(16)20(19)21(2)3;;;/h6-8,10-12H,4-5,9,13H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyBGUVXZMYTRLPPX-UHFFFAOYSA-L
MW410.26 g/mol
LogP-0.91
Rot. Bonds4

About [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride

[2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride (PubChem CID 87514554) has the molecular formula C20H23Cl2SiTi and a molecular weight of 410.26 g/mol. Its IUPAC name is [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Name[2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride
PubChem CID87514554
Molecular FormulaC20H23Cl2SiTi
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name[2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride
SMILESCCCCC1=C(C2=[C-]c3ccccc3C2=[Si](C)C)CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C20H23Si.2ClH.Ti/c1-4-5-9-15-11-8-13-17(15)19-14-16-10-6-7-12-18(16)20(19)21(2)3;;;/h6-8,10-12H,4-5,9,13H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyBGUVXZMYTRLPPX-UHFFFAOYSA-L
XLogP-0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 5-0.91
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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Related Compounds

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3-[2-(3-ethylidene-1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane;zirconium(3+);dichloride
CID 87935947
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2-butylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87550907
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Frequently Asked Questions

What is the IUPAC name of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride (CID 87514554) is [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride is CCCCC1=C(C2=[C-]c3ccccc3C2=[Si](C)C)CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride?
The InChIKey is BGUVXZMYTRLPPX-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H23Si.2ClH.Ti/c1-4-5-9-15-11-8-13-17(15)19-14-16-10-6-7-12-18(16)20(19)21(2)3;;;/h6-8,10-12H,4-5,9,13H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride?
[2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride has a molecular weight of 410.26 g/mol, XLogP of -0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butylcyclopenta-1,3-dien-1-yl)-3H-inden-3-id-1-ylidene]-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 87514554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).