hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride

C10H15Cl3Hf — CID 22325425

IUPAChafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C10H15.3ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFPJYSKZZAQRLIB-UHFFFAOYSA-K
MW420.08 g/mol
LogP-5.88
Rot. Bonds

About hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride

hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride (PubChem CID 22325425) has the molecular formula C10H15Cl3Hf and a molecular weight of 420.08 g/mol. Its IUPAC name is hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride.

Molecular Properties

Compound Namehafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride
PubChem CID22325425
Molecular FormulaC10H15Cl3Hf
Molecular Weight420.08 g/mol
Exact Mass419.97
IUPAC Namehafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C10H15.3ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFPJYSKZZAQRLIB-UHFFFAOYSA-K
XLogP-5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.08
LogP ≤ 5-5.88
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 hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride?
The IUPAC name of hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride (CID 22325425) is hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride.
What is the SMILES notation for hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride?
The canonical SMILES for hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride is CC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride?
The InChIKey is FPJYSKZZAQRLIB-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15.3ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride?
hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride has a molecular weight of 420.08 g/mol, XLogP of -5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride is sourced from PubChem (CID 22325425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).