cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron

C11H14FeO — CID 2777811

IUPACcyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron
SMILESC1=CCC=C1.OCC1=CC=CC1.[Fe]
InChIInChI=1S/C6H8O.C5H6.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-3,7H,4-5H2;1-4H,5H2;
InChIKeyIUVXWTXWRFVGPE-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.37
Rot. Bonds1

About cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron

cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron (PubChem CID 2777811) has the molecular formula C11H14FeO and a molecular weight of 218.08 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron
PubChem CID2777811
Molecular FormulaC11H14FeO
Molecular Weight218.08 g/mol
Exact Mass218.04
IUPAC Namecyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron
SMILESC1=CCC=C1.OCC1=CC=CC1.[Fe]
InChIInChI=1S/C6H8O.C5H6.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-3,7H,4-5H2;1-4H,5H2;
InChIKeyIUVXWTXWRFVGPE-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron (CID 2777811) is cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron is C1=CCC=C1.OCC1=CC=CC1.[Fe].
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron?
The InChIKey is IUVXWTXWRFVGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C5H6.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-3,7H,4-5H2;1-4H,5H2;.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron?
cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron has a molecular weight of 218.08 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethanol;iron is sourced from PubChem (CID 2777811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).