cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride

C21H35Cl2OSi2Ti-2 — CID 22221896

IUPACcyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride
SMILESCC(C)=[Ti+].C[Si](C)(C)C1=[C-]CC=C1.Cc1cc(O)cc([Si](C)(C)C)c1.[Cl-].[Cl-]
InChIInChI=1S/C10H16OSi.C8H13Si.C3H6.2ClH.Ti/c1-8-5-9(11)7-10(6-8)12(2,3)4;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h5-7,11H,1-4H3;4,6H,5H2,1-3H3;1-2H3;2*1H;/q;-1;;;;+1/p-2
InChIKeyPRBXVGFYRDLEPD-UHFFFAOYSA-L
MW478.46 g/mol
LogP-0.45
Rot. Bonds2

About cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride

cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride (PubChem CID 22221896) has the molecular formula C21H35Cl2OSi2Ti-2 and a molecular weight of 478.46 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride
PubChem CID22221896
Molecular FormulaC21H35Cl2OSi2Ti-2
Molecular Weight478.46 g/mol
Exact Mass477.11
IUPAC Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride
SMILESCC(C)=[Ti+].C[Si](C)(C)C1=[C-]CC=C1.Cc1cc(O)cc([Si](C)(C)C)c1.[Cl-].[Cl-]
InChIInChI=1S/C10H16OSi.C8H13Si.C3H6.2ClH.Ti/c1-8-5-9(11)7-10(6-8)12(2,3)4;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h5-7,11H,1-4H3;4,6H,5H2,1-3H3;1-2H3;2*1H;/q;-1;;;;+1/p-2
InChIKeyPRBXVGFYRDLEPD-UHFFFAOYSA-L
XLogP-0.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
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 cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride (CID 22221896) is cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride is CC(C)=[Ti+].C[Si](C)(C)C1=[C-]CC=C1.Cc1cc(O)cc([Si](C)(C)C)c1.[Cl-].[Cl-].
What is the InChIKey of cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride?
The InChIKey is PRBXVGFYRDLEPD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16OSi.C8H13Si.C3H6.2ClH.Ti/c1-8-5-9(11)7-10(6-8)12(2,3)4;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h5-7,11H,1-4H3;4,6H,5H2,1-3H3;1-2H3;2*1H;/q;-1;;;;+1/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride?
cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride has a molecular weight of 478.46 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride is sourced from PubChem (CID 22221896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).