hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)

C18H26Hf-2 — CID 173082217

IUPAChafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)
SMILESCCCC1=CC[C-]=C1C.CCCC1=CC[C-]=C1C.[Hf]
InChIInChI=1S/2C9H13.Hf/c2*1-3-5-9-7-4-6-8(9)2;/h2*7H,3-5H2,1-2H3;/q2*-1;
InChIKeySDJYWIKSGPQCIB-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.73
Rot. Bonds4

About hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)

hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene) (PubChem CID 173082217) has the molecular formula C18H26Hf-2 and a molecular weight of 420.90 g/mol. Its IUPAC name is hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene).

Molecular Properties

Compound Namehafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)
PubChem CID173082217
Molecular FormulaC18H26Hf-2
Molecular Weight420.90 g/mol
Exact Mass422.15
IUPAC Namehafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)
SMILESCCCC1=CC[C-]=C1C.CCCC1=CC[C-]=C1C.[Hf]
InChIInChI=1S/2C9H13.Hf/c2*1-3-5-9-7-4-6-8(9)2;/h2*7H,3-5H2,1-2H3;/q2*-1;
InChIKeySDJYWIKSGPQCIB-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.73
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

bis(2-butyl-3-methylcyclopenta-1,3-diene);zirconium(2+)
CID 18003155
bis(2-ethyl-3-methylcyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 87674700
dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride
CID 87101317
bis(2,3-dimethylcyclopenta-1,3-diene);ethanol;zirconium(4+);dichloride
CID 175144205
bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
CID 175385628
carbanide;2,3-dimethylcyclopenta-1,3-diene;zirconium(4+)
CID 22676373
bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
CID 173149529
tris(pentane);platinum(4+);trimethoxy-(5-methylcyclopenta-1,4-dien-1-yl)silane
CID 87079059
bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
CID 173008605
2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride
CID 174634216
titanium(4+);tris(3,5-diphenylphenyl)-(5-propylcyclopenta-1,4-dien-1-yl)silane;trichloride
CID 173473889
hafnium;2-propylcyclopenta-1,3-diene;difluoride
CID 174480165

Frequently Asked Questions

What is the IUPAC name of hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)?
The IUPAC name of hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene) (CID 173082217) is hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene).
What is the SMILES notation for hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)?
The canonical SMILES for hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene) is CCCC1=CC[C-]=C1C.CCCC1=CC[C-]=C1C.[Hf].
What is the InChIKey of hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)?
The InChIKey is SDJYWIKSGPQCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.Hf/c2*1-3-5-9-7-4-6-8(9)2;/h2*7H,3-5H2,1-2H3;/q2*-1;.
What are the key properties of hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)?
hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene) has a molecular weight of 420.90 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene) is sourced from PubChem (CID 173082217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).