carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium

C11H19Zr- — CID 158383790

IUPACcarbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)C(C)C(C)=C1C.[CH3-].[Zr]
InChIInChI=1S/C10H16.CH3.Zr/c1-6-7(2)9(4)10(5)8(6)3;;/h6H,1-5H3;1H3;/q;-1;
InChIKeyRZWOXDLGGZVYJE-UHFFFAOYSA-N
MW242.50 g/mol
LogP3.76
Rot. Bonds

About carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium

carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium (PubChem CID 158383790) has the molecular formula C11H19Zr- and a molecular weight of 242.50 g/mol. Its IUPAC name is carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Namecarbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
PubChem CID158383790
Molecular FormulaC11H19Zr-
Molecular Weight242.50 g/mol
Exact Mass241.05
IUPAC Namecarbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)C(C)C(C)=C1C.[CH3-].[Zr]
InChIInChI=1S/C10H16.CH3.Zr/c1-6-7(2)9(4)10(5)8(6)3;;/h6H,1-5H3;1H3;/q;-1;
InChIKeyRZWOXDLGGZVYJE-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
The IUPAC name of carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium (CID 158383790) is carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium is CC1=C(C)C(C)C(C)=C1C.[CH3-].[Zr].
What is the InChIKey of carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
The InChIKey is RZWOXDLGGZVYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.CH3.Zr/c1-6-7(2)9(4)10(5)8(6)3;;/h6H,1-5H3;1H3;/q;-1;.
What are the key properties of carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium?
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium has a molecular weight of 242.50 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 158383790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).