1,1\'-Ferrocenedicarboxaldehyde

C12H10FeO2 — CID 11770601

IUPAC—
SMILESO=CC1=CC=C[CH]1.O=CC1=CC=C[CH]1.[Fe]
InChIInChI=1S/2C6H5O.Fe/c2*7-5-6-3-1-2-4-6;/h2*1-5H;
InChIKeySRAPEJKOIJWBFN-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.77
Rot. Bonds2

About 1,1\'-Ferrocenedicarboxaldehyde

1,1\'-Ferrocenedicarboxaldehyde (PubChem CID 11770601) has the molecular formula C12H10FeO2 and a molecular weight of 242.06 g/mol.

Molecular Properties

Compound Name1,1\'-Ferrocenedicarboxaldehyde
PubChem CID11770601
Molecular FormulaC12H10FeO2
Molecular Weight242.06 g/mol
Exact Mass242.00
IUPAC Name—
SMILESO=CC1=CC=C[CH]1.O=CC1=CC=C[CH]1.[Fe]
InChIInChI=1S/2C6H5O.Fe/c2*7-5-6-3-1-2-4-6;/h2*1-5H;
InChIKeySRAPEJKOIJWBFN-UHFFFAOYSA-N
XLogP1.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1\'-Ferrocenedicarboxaldehyde?
The IUPAC name of 1,1\'-Ferrocenedicarboxaldehyde (CID 11770601) is not available.
What is the SMILES notation for 1,1\'-Ferrocenedicarboxaldehyde?
The canonical SMILES for 1,1\'-Ferrocenedicarboxaldehyde is O=CC1=CC=C[CH]1.O=CC1=CC=C[CH]1.[Fe].
What is the InChIKey of 1,1\'-Ferrocenedicarboxaldehyde?
The InChIKey is SRAPEJKOIJWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5O.Fe/c2*7-5-6-3-1-2-4-6;/h2*1-5H;.
What are the key properties of 1,1\'-Ferrocenedicarboxaldehyde?
1,1\'-Ferrocenedicarboxaldehyde has a molecular weight of 242.06 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1\'-Ferrocenedicarboxaldehyde is sourced from PubChem (CID 11770601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).