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

C20H30Hf+2 — CID 22023527

IUPAChafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Hf+4]
InChIInChI=1S/2C10H15.Hf/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3;/q2*-1;+4
InChIKeyUVJFRICOZVLAPM-UHFFFAOYSA-N
MW448.95 g/mol
LogP6.22
Rot. Bonds

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

hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) (PubChem CID 22023527) has the molecular formula C20H30Hf+2 and a molecular weight of 448.95 g/mol. Its IUPAC name is hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namehafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
PubChem CID22023527
Molecular FormulaC20H30Hf+2
Molecular Weight448.95 g/mol
Exact Mass450.18
IUPAC Namehafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Hf+4]
InChIInChI=1S/2C10H15.Hf/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3;/q2*-1;+4
InChIKeyUVJFRICOZVLAPM-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 56.22
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+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
The IUPAC name of hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) (CID 22023527) is hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene).
What is the SMILES notation for hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
The canonical SMILES for hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) is CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Hf+4].
What is the InChIKey of hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
The InChIKey is UVJFRICOZVLAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.Hf/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3;/q2*-1;+4.
What are the key properties of hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)?
hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) has a molecular weight of 448.95 g/mol, XLogP of 6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene) is sourced from PubChem (CID 22023527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).