methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride

C19H28Cl2Hf-2 — CID 19351721

IUPACmethylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
SMILESC=[Hf+2].CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-]
InChIInChI=1S/2C9H13.CH2.2ClH.Hf/c2*1-6-5-7(2)9(4)8(6)3;;;;/h2*6H,1-4H3;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFKDPOCOUYCZURV-UHFFFAOYSA-L
MW505.83 g/mol
LogP-0.58
Rot. Bonds

About methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride

methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride (PubChem CID 19351721) has the molecular formula C19H28Cl2Hf-2 and a molecular weight of 505.83 g/mol. Its IUPAC name is methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namemethylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
PubChem CID19351721
Molecular FormulaC19H28Cl2Hf-2
Molecular Weight505.83 g/mol
Exact Mass506.10
IUPAC Namemethylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
SMILESC=[Hf+2].CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-]
InChIInChI=1S/2C9H13.CH2.2ClH.Hf/c2*1-6-5-7(2)9(4)8(6)3;;;;/h2*6H,1-4H3;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFKDPOCOUYCZURV-UHFFFAOYSA-L
XLogP-0.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.83
LogP ≤ 5-0.58
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 methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The IUPAC name of methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride (CID 19351721) is methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride is C=[Hf+2].CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].
What is the InChIKey of methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The InChIKey is FKDPOCOUYCZURV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.CH2.2ClH.Hf/c2*1-6-5-7(2)9(4)8(6)3;;;;/h2*6H,1-4H3;1H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride has a molecular weight of 505.83 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 19351721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).