2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride

C16H23Cl2SiZr- — CID 157266018

IUPAC2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
SMILESCCc1c(C2C=CC=C2)cc[c-]1CC.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C14H17.C2H6Si.2ClH.Zr/c1-3-11-9-10-14(13(11)4-2)12-7-5-6-8-12;1-3-2;;;/h5-10,12H,3-4H2,1-2H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyRKXCKUOMTVUJMD-UHFFFAOYSA-L
MW405.58 g/mol
LogP-1.47
Rot. Bonds3

About 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride

2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 157266018) has the molecular formula C16H23Cl2SiZr- and a molecular weight of 405.58 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
PubChem CID157266018
Molecular FormulaC16H23Cl2SiZr-
Molecular Weight405.58 g/mol
Exact Mass403.00
IUPAC Name2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
SMILESCCc1c(C2C=CC=C2)cc[c-]1CC.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C14H17.C2H6Si.2ClH.Zr/c1-3-11-9-10-14(13(11)4-2)12-7-5-6-8-12;1-3-2;;;/h5-10,12H,3-4H2,1-2H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyRKXCKUOMTVUJMD-UHFFFAOYSA-L
XLogP-1.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride (CID 157266018) is 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride is CCc1c(C2C=CC=C2)cc[c-]1CC.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is RKXCKUOMTVUJMD-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H17.C2H6Si.2ClH.Zr/c1-3-11-9-10-14(13(11)4-2)12-7-5-6-8-12;1-3-2;;;/h5-10,12H,3-4H2,1-2H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride?
2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 405.58 g/mol, XLogP of -1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 157266018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).