carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride

C7H10Cl2Zr — CID 174253848

IUPACcarbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCC1=[C-]CC=C1.[CH3-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C6H7.CH3.2ClH.Zr/c1-6-4-2-3-5-6;;;;/h2,4H,3H2,1H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQYGDMTNVSJTTNX-UHFFFAOYSA-L
MW256.29 g/mol
LogP-3.85
Rot. Bonds

About carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride

carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 174253848) has the molecular formula C7H10Cl2Zr and a molecular weight of 256.29 g/mol. Its IUPAC name is carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Namecarbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID174253848
Molecular FormulaC7H10Cl2Zr
Molecular Weight256.29 g/mol
Exact Mass253.92
IUPAC Namecarbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCC1=[C-]CC=C1.[CH3-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C6H7.CH3.2ClH.Zr/c1-6-4-2-3-5-6;;;;/h2,4H,3H2,1H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQYGDMTNVSJTTNX-UHFFFAOYSA-L
XLogP-3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-3.85
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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Related Compounds

carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
CID 173398279
CID 173398279
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
chromium;2-methylcyclopenta-1,3-diene
CID 173304853
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
CID 173032575
methane;bis(2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 22027318
CID 173216049
CID 173216049

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride (CID 174253848) is carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride is CC1=[C-]CC=C1.[CH3-].[Cl-].[Cl-].[Zr+4].
What is the InChIKey of carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is QYGDMTNVSJTTNX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7.CH3.2ClH.Zr/c1-6-4-2-3-5-6;;;;/h2,4H,3H2,1H3;1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 256.29 g/mol, XLogP of -3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 174253848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).