2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)

C16H24SiZr — CID 173079976

IUPAC2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)
SMILESCCCCC1=CC[C-]=C1.C[Si](C)=[Zr+2].[C-]1=CC=CC1
InChIInChI=1S/C9H13.C5H5.C2H6Si.Zr/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;1-3-2;/h7-8H,2-4,6H2,1H3;1-3H,4H2;1-2H3;/q2*-1;;+2
InChIKeyCEFIRVDYXNYTKA-UHFFFAOYSA-N
MW335.68 g/mol
LogP4.96
Rot. Bonds3

About 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)

2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+) (PubChem CID 173079976) has the molecular formula C16H24SiZr and a molecular weight of 335.68 g/mol. Its IUPAC name is 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+).

Molecular Properties

Compound Name2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)
PubChem CID173079976
Molecular FormulaC16H24SiZr
Molecular Weight335.68 g/mol
Exact Mass334.07
IUPAC Name2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)
SMILESCCCCC1=CC[C-]=C1.C[Si](C)=[Zr+2].[C-]1=CC=CC1
InChIInChI=1S/C9H13.C5H5.C2H6Si.Zr/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;1-3-2;/h7-8H,2-4,6H2,1H3;1-3H,4H2;1-2H3;/q2*-1;;+2
InChIKeyCEFIRVDYXNYTKA-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 54.96
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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Related Compounds

cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene
CID 173079907
bis(2-butylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+);dichloride
CID 87517272
carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium
CID 173079852
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride
CID 23296871
hafnium;2-propylcyclopenta-1,3-diene;difluoride
CID 174480165
1-butyl-2-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)
CID 140557001
CID 173474909
CID 173474909
2-ethylcyclopenta-1,3-diene;titanium;trihydrochloride
CID 173474544
cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)
CID 173323248
carbanide;cyclopenta-1,3-diene;propane;titanium
CID 174419240
CID 22023550
CID 22023550
2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium
CID 173380449

Frequently Asked Questions

What is the IUPAC name of 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)?
The IUPAC name of 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+) (CID 173079976) is 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+).
What is the SMILES notation for 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)?
The canonical SMILES for 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+) is CCCCC1=CC[C-]=C1.C[Si](C)=[Zr+2].[C-]1=CC=CC1.
What is the InChIKey of 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)?
The InChIKey is CEFIRVDYXNYTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C5H5.C2H6Si.Zr/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;1-3-2;/h7-8H,2-4,6H2,1H3;1-3H,4H2;1-2H3;/q2*-1;;+2.
What are the key properties of 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)?
2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+) has a molecular weight of 335.68 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+) is sourced from PubChem (CID 173079976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).