CID 11280912

C22H20Fe2+4 — CID 11280912

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](/C=C/[C]2[CH][CH][CH][CH]2)[CH]1.[Fe+2].[Fe+2]
InChIInChI=1S/C12H10.2C5H5.2Fe/c1-2-6-11(5-1)9-10-12-7-3-4-8-12;2*1-2-4-5-3-1;;/h1-10H;2*1-5H;;/q;;;2*+2/b10-9+;;;;
InChIKeyFOWGQGHNBWKJGF-GWIKJDHCSA-N
MW396.09 g/mol
LogP4.39
Rot. Bonds2

About CID 11280912

CID 11280912 (PubChem CID 11280912) has the molecular formula C22H20Fe2+4 and a molecular weight of 396.09 g/mol.

Molecular Properties

Compound NameCID 11280912
PubChem CID11280912
Molecular FormulaC22H20Fe2+4
Molecular Weight396.09 g/mol
Exact Mass396.02
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](/C=C/[C]2[CH][CH][CH][CH]2)[CH]1.[Fe+2].[Fe+2]
InChIInChI=1S/C12H10.2C5H5.2Fe/c1-2-6-11(5-1)9-10-12-7-3-4-8-12;2*1-2-4-5-3-1;;/h1-10H;2*1-5H;;/q;;;2*+2/b10-9+;;;;
InChIKeyFOWGQGHNBWKJGF-GWIKJDHCSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 54.39
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 CID 11280912?
The IUPAC name of CID 11280912 (CID 11280912) is not available.
What is the SMILES notation for CID 11280912?
The canonical SMILES for CID 11280912 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](/C=C/[C]2[CH][CH][CH][CH]2)[CH]1.[Fe+2].[Fe+2].
What is the InChIKey of CID 11280912?
The InChIKey is FOWGQGHNBWKJGF-GWIKJDHCSA-N. The full InChI is InChI=1S/C12H10.2C5H5.2Fe/c1-2-6-11(5-1)9-10-12-7-3-4-8-12;2*1-2-4-5-3-1;;/h1-10H;2*1-5H;;/q;;;2*+2/b10-9+;;;;.
What are the key properties of CID 11280912?
CID 11280912 has a molecular weight of 396.09 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11280912 is sourced from PubChem (CID 11280912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).