[cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride

C10H17Cl2OSiTi — CID 173208112

IUPAC[cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride
SMILESCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H17OSi.2ClH.Ti/c1-4-11-10(12(2)3)9-7-5-6-8-9;;;/h5,7,10,12H,4,6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyWFOAYPUDRPZFKR-UHFFFAOYSA-L
MW300.10 g/mol
LogP-3.89
Rot. Bonds4

About [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride

[cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride (PubChem CID 173208112) has the molecular formula C10H17Cl2OSiTi and a molecular weight of 300.10 g/mol. Its IUPAC name is [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Name[cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride
PubChem CID173208112
Molecular FormulaC10H17Cl2OSiTi
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC Name[cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride
SMILESCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H17OSi.2ClH.Ti/c1-4-11-10(12(2)3)9-7-5-6-8-9;;;/h5,7,10,12H,4,6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyWFOAYPUDRPZFKR-UHFFFAOYSA-L
XLogP-3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 5-3.89
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 [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride (CID 173208112) is [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride is CCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
The InChIKey is WFOAYPUDRPZFKR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17OSi.2ClH.Ti/c1-4-11-10(12(2)3)9-7-5-6-8-9;;;/h5,7,10,12H,4,6H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
[cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride has a molecular weight of 300.10 g/mol, XLogP of -3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 173208112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).