iron;1-methoxyprop-1-en-1-ol

C4H8FeO2 — CID 134971526

IUPACiron;1-methoxyprop-1-en-1-ol
SMILESCC=C(O)OC.[Fe]
InChIInChI=1S/C4H8O2.Fe/c1-3-4(5)6-2;/h3,5H,1-2H3;
InChIKeySCNJSXDLXLUYRD-UHFFFAOYSA-N
MW143.95 g/mol
LogP1.05
Rot. Bonds1

About iron;1-methoxyprop-1-en-1-ol

iron;1-methoxyprop-1-en-1-ol (PubChem CID 134971526) has the molecular formula C4H8FeO2 and a molecular weight of 143.95 g/mol. Its IUPAC name is iron;1-methoxyprop-1-en-1-ol.

Molecular Properties

Compound Nameiron;1-methoxyprop-1-en-1-ol
PubChem CID134971526
Molecular FormulaC4H8FeO2
Molecular Weight143.95 g/mol
Exact Mass143.99
IUPAC Nameiron;1-methoxyprop-1-en-1-ol
SMILESCC=C(O)OC.[Fe]
InChIInChI=1S/C4H8O2.Fe/c1-3-4(5)6-2;/h3,5H,1-2H3;
InChIKeySCNJSXDLXLUYRD-UHFFFAOYSA-N
XLogP1.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.95
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron;1-methoxyprop-1-en-1-ol?
The IUPAC name of iron;1-methoxyprop-1-en-1-ol (CID 134971526) is iron;1-methoxyprop-1-en-1-ol.
What is the SMILES notation for iron;1-methoxyprop-1-en-1-ol?
The canonical SMILES for iron;1-methoxyprop-1-en-1-ol is CC=C(O)OC.[Fe].
What is the InChIKey of iron;1-methoxyprop-1-en-1-ol?
The InChIKey is SCNJSXDLXLUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Fe/c1-3-4(5)6-2;/h3,5H,1-2H3;.
What are the key properties of iron;1-methoxyprop-1-en-1-ol?
iron;1-methoxyprop-1-en-1-ol has a molecular weight of 143.95 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;1-methoxyprop-1-en-1-ol is sourced from PubChem (CID 134971526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).