oxomethylideneiron;pentahydrate

CH10FeO6 — CID 175558678

IUPACoxomethylideneiron;pentahydrate
SMILESO.O.O.O.O.O=C=[Fe]
InChIInChI=1S/CO.Fe.5H2O/c1-2;;;;;;/h;;5*1H2
InChIKeyKKBWDANUOHUIKQ-UHFFFAOYSA-N
MW173.93 g/mol
LogP-4.52
Rot. Bonds

About oxomethylideneiron;pentahydrate

oxomethylideneiron;pentahydrate (PubChem CID 175558678) has the molecular formula CH10FeO6 and a molecular weight of 173.93 g/mol. Its IUPAC name is oxomethylideneiron;pentahydrate.

Molecular Properties

Compound Nameoxomethylideneiron;pentahydrate
PubChem CID175558678
Molecular FormulaCH10FeO6
Molecular Weight173.93 g/mol
Exact Mass173.98
IUPAC Nameoxomethylideneiron;pentahydrate
SMILESO.O.O.O.O.O=C=[Fe]
InChIInChI=1S/CO.Fe.5H2O/c1-2;;;;;;/h;;5*1H2
InChIKeyKKBWDANUOHUIKQ-UHFFFAOYSA-N
XLogP-4.52
TPSA174.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.93
LogP ≤ 5-4.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of oxomethylideneiron;pentahydrate?
The IUPAC name of oxomethylideneiron;pentahydrate (CID 175558678) is oxomethylideneiron;pentahydrate.
What is the SMILES notation for oxomethylideneiron;pentahydrate?
The canonical SMILES for oxomethylideneiron;pentahydrate is O.O.O.O.O.O=C=[Fe].
What is the InChIKey of oxomethylideneiron;pentahydrate?
The InChIKey is KKBWDANUOHUIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CO.Fe.5H2O/c1-2;;;;;;/h;;5*1H2.
What are the key properties of oxomethylideneiron;pentahydrate?
oxomethylideneiron;pentahydrate has a molecular weight of 173.93 g/mol, XLogP of -4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxomethylideneiron;pentahydrate is sourced from PubChem (CID 175558678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).