1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride

C11H19Cl2OSiTi — CID 87975944

IUPAC1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride
SMILESCCC(O[Si](C)(C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-5-11(12-13(2,3)4)10-8-6-7-9-10;;;/h6,8,11H,5,7H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeySSDXXQRLFGTNHZ-UHFFFAOYSA-L
MW314.13 g/mol
LogP-2.69
Rot. Bonds4

About 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride

1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride (PubChem CID 87975944) has the molecular formula C11H19Cl2OSiTi and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride
PubChem CID87975944
Molecular FormulaC11H19Cl2OSiTi
Molecular Weight314.13 g/mol
Exact Mass313.01
IUPAC Name1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride
SMILESCCC(O[Si](C)(C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-5-11(12-13(2,3)4)10-8-6-7-9-10;;;/h6,8,11H,5,7H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeySSDXXQRLFGTNHZ-UHFFFAOYSA-L
XLogP-2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 5-2.69
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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Related Compounds

trimethyl-[(3E,8E)-9-methylundeca-1,3,8,10-tetraen-5-yl]oxysilane
CID 10658360
trimethyl-[(5E)-5-methylnona-1,5-dien-4-yl]oxysilane
CID 134981317
2,6,10-Trimethyl-4-trimethylsilyloxy-deca-2,5,9,11-tetraene
CID 91696473
Tert-butyl-dimethyl-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)oxysilane
CID 22643808
Trimethyl(6-methylhepta-1,5-dien-4-yloxy)silane
CID 57073587
Trimethyl-(4-methylidenecyclopent-2-en-1-yl)oxysilane
CID 59194208
Cyclopenta-1,3-diene;1-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride
CID 87935962
Bis(1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane);zirconium(2+);dihydrochloride
CID 87936319
1-Cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride
CID 87936354
Cyclopenta-1,3-diene;1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;zirconium(2+);dihydrochloride
CID 87936682
Cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride
CID 87975727
Cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium;dihydrochloride
CID 87975729

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride?
The IUPAC name of 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride (CID 87975944) is 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride is CCC(O[Si](C)(C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride?
The InChIKey is SSDXXQRLFGTNHZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H19OSi.2ClH.Ti/c1-5-11(12-13(2,3)4)10-8-6-7-9-10;;;/h6,8,11H,5,7H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride?
1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride has a molecular weight of 314.13 g/mol, XLogP of -2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-ylpropoxy(trimethyl)silane;titanium(3+);dichloride is sourced from PubChem (CID 87975944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).