hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene

C17H24Hf-2 — CID 154431533

IUPAChafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCCC[c-]1cccc1.Cc1c[c-](C)c(C)c1C.[Hf]
InChIInChI=1S/C9H13.C8H11.Hf/c1-6-5-7(2)9(4)8(6)3;1-2-5-8-6-3-4-7-8;/h5H,1-4H3;3-4,6-7H,2,5H2,1H3;/q2*-1;
InChIKeyOOQHUBZIBJPTTM-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.99
Rot. Bonds2

About hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene

hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene (PubChem CID 154431533) has the molecular formula C17H24Hf-2 and a molecular weight of 406.87 g/mol. Its IUPAC name is hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namehafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene
PubChem CID154431533
Molecular FormulaC17H24Hf-2
Molecular Weight406.87 g/mol
Exact Mass408.14
IUPAC Namehafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCCC[c-]1cccc1.Cc1c[c-](C)c(C)c1C.[Hf]
InChIInChI=1S/C9H13.C8H11.Hf/c1-6-5-7(2)9(4)8(6)3;1-2-5-8-6-3-4-7-8;/h5H,1-4H3;3-4,6-7H,2,5H2,1H3;/q2*-1;
InChIKeyOOQHUBZIBJPTTM-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.99
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;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene (CID 154431533) is hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene is CCC[c-]1cccc1.Cc1c[c-](C)c(C)c1C.[Hf].
What is the InChIKey of hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is OOQHUBZIBJPTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C8H11.Hf/c1-6-5-7(2)9(4)8(6)3;1-2-5-8-6-3-4-7-8;/h5H,1-4H3;3-4,6-7H,2,5H2,1H3;/q2*-1;.
What are the key properties of hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene?
hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 406.87 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 154431533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).