cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)

C19H20FeO — CID 167432972

IUPACcyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)
SMILESCC(C)(Oc1ccccc1)[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H15O.C5H5.Fe/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;1-2-4-5-3-1;/h3-11H,1-2H3;1-5H;/q2*-1;+2
InChIKeyFLKAGSNKKOKCRN-UHFFFAOYSA-N
MW320.21 g/mol
LogP5.12
Rot. Bonds3

About cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)

cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+) (PubChem CID 167432972) has the molecular formula C19H20FeO and a molecular weight of 320.21 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)
PubChem CID167432972
Molecular FormulaC19H20FeO
Molecular Weight320.21 g/mol
Exact Mass320.09
IUPAC Namecyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)
SMILESCC(C)(Oc1ccccc1)[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H15O.C5H5.Fe/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;1-2-4-5-3-1;/h3-11H,1-2H3;1-5H;/q2*-1;+2
InChIKeyFLKAGSNKKOKCRN-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.21
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+) (CID 167432972) is cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+) is CC(C)(Oc1ccccc1)[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)?
The InChIKey is FLKAGSNKKOKCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O.C5H5.Fe/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;1-2-4-5-3-1;/h3-11H,1-2H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)?
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+) has a molecular weight of 320.21 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+) is sourced from PubChem (CID 167432972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).