carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium

C17H28SiZr-4 — CID 173079852

IUPACcarbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium
SMILESCCCCCC1=CC[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/C10H15.C5H5.2CH3.H2Si.Zr/c1-2-3-4-7-10-8-5-6-9-10;1-2-4-5-3-1;;;;/h8-9H,2-5,7H2,1H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;
InChIKeyCXPKAVQYHFJZQS-UHFFFAOYSA-N
MW351.72 g/mol
LogP4.54
Rot. Bonds4

About carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium

carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium (PubChem CID 173079852) has the molecular formula C17H28SiZr-4 and a molecular weight of 351.72 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium
PubChem CID173079852
Molecular FormulaC17H28SiZr-4
Molecular Weight351.72 g/mol
Exact Mass350.10
IUPAC Namecarbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium
SMILESCCCCCC1=CC[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/C10H15.C5H5.2CH3.H2Si.Zr/c1-2-3-4-7-10-8-5-6-9-10;1-2-4-5-3-1;;;;/h8-9H,2-5,7H2,1H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;
InChIKeyCXPKAVQYHFJZQS-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)
CID 173079976
cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene
CID 173079907
carbanide;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium
CID 173079849
bis(2-butylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+);dichloride
CID 87517272
2-tert-butylcyclopenta-1,3-diene;carbanide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173108972
carbanide;bis(cyclopenta-1,3-diene);silylidenezirconium;dihydrochloride
CID 173008932
hafnium;2-propylcyclopenta-1,3-diene;difluoride
CID 174480165
carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
CID 173323257
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
carbanide;cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;silylidenezirconium
CID 173079956
bis(cyclopenta-1,3-diene);dimethyl(dioctadecyl)azanium;titanium(3+);dichloride
CID 173204654
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium (CID 173079852) is carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium is CCCCCC1=CC[C-]=C1.[C-]1=CC=CC1.[CH3-].[CH3-].[SiH2]=[Zr].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium?
The InChIKey is CXPKAVQYHFJZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C5H5.2CH3.H2Si.Zr/c1-2-3-4-7-10-8-5-6-9-10;1-2-4-5-3-1;;;;/h8-9H,2-5,7H2,1H3;1-3H,4H2;2*1H3;1H2;/q4*-1;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium?
carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium has a molecular weight of 351.72 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium is sourced from PubChem (CID 173079852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).