hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride

C10H15Cl2Hf-3 — CID 87710509

IUPAChafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H15.2ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;/h1-5H3;2*1H;/q-1;;;/p-2
InChIKeyUSTRBGVJYBHXST-UHFFFAOYSA-L
MW384.63 g/mol
LogP-2.88
Rot. Bonds

About hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride

hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride (PubChem CID 87710509) has the molecular formula C10H15Cl2Hf-3 and a molecular weight of 384.63 g/mol. Its IUPAC name is hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Namehafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
PubChem CID87710509
Molecular FormulaC10H15Cl2Hf-3
Molecular Weight384.63 g/mol
Exact Mass385.00
IUPAC Namehafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H15.2ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;/h1-5H3;2*1H;/q-1;;;/p-2
InChIKeyUSTRBGVJYBHXST-UHFFFAOYSA-L
XLogP-2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 5-2.88
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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Related Compounds

hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide
CID 175283322
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;vanadium(2+);dichloride
CID 18368708
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 18916144
hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trichloride
CID 22325425
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(3+);trichloride
CID 173293716
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);vanadium(2+);chloride
CID 18368655
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;vanadium
CID 173203726
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);thorium(2+)
CID 173316501
hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
CID 22023527
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
CID 22023607
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)
CID 22027344
hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide
CID 21266938

Frequently Asked Questions

What is the IUPAC name of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride (CID 87710509) is hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride is CC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Cl-].[Hf].
What is the InChIKey of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
The InChIKey is USTRBGVJYBHXST-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.2ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;/h1-5H3;2*1H;/q-1;;;/p-2.
What are the key properties of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride has a molecular weight of 384.63 g/mol, XLogP of -2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 87710509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).