hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)

C20H32Zr-2 — CID 173113537

IUPAChydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[H-].[H-].[Zr+2]
InChIInChI=1S/2C10H15.Zr.2H/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;;;/q2*-1;+2;2*-1
InChIKeyNDBUBDVIIQKQGH-UHFFFAOYSA-N
MW363.70 g/mol
LogP6.45
Rot. Bonds

About hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)

hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+) (PubChem CID 173113537) has the molecular formula C20H32Zr-2 and a molecular weight of 363.70 g/mol. Its IUPAC name is hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+).

Molecular Properties

Compound Namehydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)
PubChem CID173113537
Molecular FormulaC20H32Zr-2
Molecular Weight363.70 g/mol
Exact Mass362.16
IUPAC Namehydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[H-].[H-].[Zr+2]
InChIInChI=1S/2C10H15.Zr.2H/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;;;/q2*-1;+2;2*-1
InChIKeyNDBUBDVIIQKQGH-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.70
LogP ≤ 56.45
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 hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)?
The IUPAC name of hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+) (CID 173113537) is hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+).
What is the SMILES notation for hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)?
The canonical SMILES for hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+) is CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[H-].[H-].[Zr+2].
What is the InChIKey of hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)?
The InChIKey is NDBUBDVIIQKQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.Zr.2H/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;;;/q2*-1;+2;2*-1.
What are the key properties of hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)?
hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+) has a molecular weight of 363.70 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+) is sourced from PubChem (CID 173113537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).