iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C10H15Fe- — CID 141410099

IUPACiron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Fe]
InChIInChI=1S/C10H15.Fe/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;
InChIKeyOYHSBBSBHFGZGY-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.95
Rot. Bonds

About iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 141410099) has the molecular formula C10H15Fe- and a molecular weight of 191.07 g/mol. Its IUPAC name is iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameiron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID141410099
Molecular FormulaC10H15Fe-
Molecular Weight191.07 g/mol
Exact Mass191.05
IUPAC Nameiron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Fe]
InChIInChI=1S/C10H15.Fe/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;
InChIKeyOYHSBBSBHFGZGY-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 141410099) is iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.[Fe].
What is the InChIKey of iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is OYHSBBSBHFGZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Fe/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;.
What are the key properties of iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 191.07 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 141410099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).