iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)

C24H40Fe — CID 22465099

IUPACiron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)
SMILESCCCC1=C(C)C(C)=C(C)C1C.CCCC1=C(C)C(C)=C(C)C1C.[Fe]
InChIInChI=1S/2C12H20.Fe/c2*1-6-7-12-10(4)8(2)9(3)11(12)5;/h2*10H,6-7H2,1-5H3;
InChIKeyZYKROOPYHBVZPU-UHFFFAOYSA-N
MW384.43 g/mol
LogP8.18
Rot. Bonds4

About iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)

iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene) (PubChem CID 22465099) has the molecular formula C24H40Fe and a molecular weight of 384.43 g/mol. Its IUPAC name is iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene).

Molecular Properties

Compound Nameiron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)
PubChem CID22465099
Molecular FormulaC24H40Fe
Molecular Weight384.43 g/mol
Exact Mass384.25
IUPAC Nameiron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)
SMILESCCCC1=C(C)C(C)=C(C)C1C.CCCC1=C(C)C(C)=C(C)C1C.[Fe]
InChIInChI=1S/2C12H20.Fe/c2*1-6-7-12-10(4)8(2)9(3)11(12)5;/h2*10H,6-7H2,1-5H3;
InChIKeyZYKROOPYHBVZPU-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)?
The IUPAC name of iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene) (CID 22465099) is iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene).
What is the SMILES notation for iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)?
The canonical SMILES for iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene) is CCCC1=C(C)C(C)=C(C)C1C.CCCC1=C(C)C(C)=C(C)C1C.[Fe].
What is the InChIKey of iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)?
The InChIKey is ZYKROOPYHBVZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20.Fe/c2*1-6-7-12-10(4)8(2)9(3)11(12)5;/h2*10H,6-7H2,1-5H3;.
What are the key properties of iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)?
iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene) has a molecular weight of 384.43 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene) is sourced from PubChem (CID 22465099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).