Iron;1,2,3,4,5-pentadeuteriocyclopentane

C10H10Fe — CID 102602328

IUPAC—
SMILES[2H][C]1[C]([2H])[C]([2H])[C]([2H])[C]1[2H].[2H][C]1[C]([2H])[C]([2H])[C]([2H])[C]1[2H].[Fe]
InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/i2*1D,2D,3D,4D,5D;
InChIKeyDFRHTHSZMBROSH-DQPUZLHUSA-N
MW196.10 g/mol
LogP2.04
Rot. Bonds

About Iron;1,2,3,4,5-pentadeuteriocyclopentane

Iron;1,2,3,4,5-pentadeuteriocyclopentane (PubChem CID 102602328) has the molecular formula C10H10Fe and a molecular weight of 196.10 g/mol.

Molecular Properties

Compound NameIron;1,2,3,4,5-pentadeuteriocyclopentane
PubChem CID102602328
Molecular FormulaC10H10Fe
Molecular Weight196.10 g/mol
Exact Mass196.08
IUPAC Name—
SMILES[2H][C]1[C]([2H])[C]([2H])[C]([2H])[C]1[2H].[2H][C]1[C]([2H])[C]([2H])[C]([2H])[C]1[2H].[Fe]
InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/i2*1D,2D,3D,4D,5D;
InChIKeyDFRHTHSZMBROSH-DQPUZLHUSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.04
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;1,2,3,4,5-pentadeuteriocyclopentane?
The IUPAC name of Iron;1,2,3,4,5-pentadeuteriocyclopentane (CID 102602328) is not available.
What is the SMILES notation for Iron;1,2,3,4,5-pentadeuteriocyclopentane?
The canonical SMILES for Iron;1,2,3,4,5-pentadeuteriocyclopentane is [2H][C]1[C]([2H])[C]([2H])[C]([2H])[C]1[2H].[2H][C]1[C]([2H])[C]([2H])[C]([2H])[C]1[2H].[Fe].
What is the InChIKey of Iron;1,2,3,4,5-pentadeuteriocyclopentane?
The InChIKey is DFRHTHSZMBROSH-DQPUZLHUSA-N. The full InChI is InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/i2*1D,2D,3D,4D,5D;.
What are the key properties of Iron;1,2,3,4,5-pentadeuteriocyclopentane?
Iron;1,2,3,4,5-pentadeuteriocyclopentane has a molecular weight of 196.10 g/mol, XLogP of 2.04, 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-pentadeuteriocyclopentane is sourced from PubChem (CID 102602328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).