cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene

C15H16Fe-6 — CID 173282363

IUPACcyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene
SMILESC=CC=C(C)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C10H11.C5H5.Fe/c1-3-6-9(2)10-7-4-5-8-10;1-2-4-5-3-1;/h3-8H,1H2,2H3;1-5H;/q-1;-5;
InChIKeySJVYMMXDGNVBHB-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.40
Rot. Bonds2

About cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene

cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene (PubChem CID 173282363) has the molecular formula C15H16Fe-6 and a molecular weight of 252.14 g/mol. Its IUPAC name is cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene
PubChem CID173282363
Molecular FormulaC15H16Fe-6
Molecular Weight252.14 g/mol
Exact Mass252.06
IUPAC Namecyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene
SMILESC=CC=C(C)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C10H11.C5H5.Fe/c1-3-6-9(2)10-7-4-5-8-10;1-2-4-5-3-1;/h3-8H,1H2,2H3;1-5H;/q-1;-5;
InChIKeySJVYMMXDGNVBHB-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.40
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene?
The IUPAC name of cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene (CID 173282363) is cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene?
The canonical SMILES for cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene is C=CC=C(C)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene?
The InChIKey is SJVYMMXDGNVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11.C5H5.Fe/c1-3-6-9(2)10-7-4-5-8-10;1-2-4-5-3-1;/h3-8H,1H2,2H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene?
cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene has a molecular weight of 252.14 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 173282363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).