cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride

C15H22Cl2OSiZr — CID 86597159

IUPACcyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17OSi.C5H5.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-2-4-5-3-1;;;/h4,6H,5,8-9H2,1-3H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyOOXHNIKWHTVBBR-UHFFFAOYSA-L
MW408.56 g/mol
LogP-1.77
Rot. Bonds4

About cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride

cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride (PubChem CID 86597159) has the molecular formula C15H22Cl2OSiZr and a molecular weight of 408.56 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride
PubChem CID86597159
Molecular FormulaC15H22Cl2OSiZr
Molecular Weight408.56 g/mol
Exact Mass405.99
IUPAC Namecyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17OSi.C5H5.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-2-4-5-3-1;;;/h4,6H,5,8-9H2,1-3H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyOOXHNIKWHTVBBR-UHFFFAOYSA-L
XLogP-1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 5-1.77
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-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride (CID 86597159) is cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride is C[Si](C)(C)OCCC1=[C-]CC=C1.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride?
The InChIKey is OOXHNIKWHTVBBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17OSi.C5H5.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-2-4-5-3-1;;;/h4,6H,5,8-9H2,1-3H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride?
cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride has a molecular weight of 408.56 g/mol, XLogP of -1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(4+);dichloride is sourced from PubChem (CID 86597159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).