(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride

C14H19Cl2O2SiZr — CID 87936235

IUPAC(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCOC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H19O2Si.2ClH.Zr/c1-17(2,3)16-11-15-14-10-6-9-13(14)12-7-4-5-8-12;;;/h4,6-7,10H,5,9,11H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyMHUDVGQFSLANHI-UHFFFAOYSA-L
MW409.52 g/mol
LogP-2.28
Rot. Bonds5

About (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride

(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride (PubChem CID 87936235) has the molecular formula C14H19Cl2O2SiZr and a molecular weight of 409.52 g/mol. Its IUPAC name is (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride.

Molecular Properties

Compound Name(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride
PubChem CID87936235
Molecular FormulaC14H19Cl2O2SiZr
Molecular Weight409.52 g/mol
Exact Mass406.96
IUPAC Name(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCOC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H19O2Si.2ClH.Zr/c1-17(2,3)16-11-15-14-10-6-9-13(14)12-7-4-5-8-12;;;/h4,6-7,10H,5,9,11H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyMHUDVGQFSLANHI-UHFFFAOYSA-L
XLogP-2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 87936033
CID 87936033
CID 87936034
CID 87936034
CID 87936037
CID 87936037
CID 87936039
CID 87936039
CID 87936051
CID 87936051
CID 87936259
CID 87936259
CID 87936346
CID 87936346
CID 87936493
CID 87936493
CID 87936552
CID 87936552
CID 87936756
CID 87936756
CID 87936765
CID 87936765
CID 87976149
CID 87976149

Frequently Asked Questions

What is the IUPAC name of (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride?
The IUPAC name of (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride (CID 87936235) is (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride.
What is the SMILES notation for (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride?
The canonical SMILES for (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride is C[Si](C)(C)OCOC1=C(C2=[C-]CC=C2)CC=C1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride?
The InChIKey is MHUDVGQFSLANHI-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H19O2Si.2ClH.Zr/c1-17(2,3)16-11-15-14-10-6-9-13(14)12-7-4-5-8-12;;;/h4,6-7,10H,5,9,11H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride?
(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride has a molecular weight of 409.52 g/mol, XLogP of -2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)oxymethoxy-trimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 87936235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).