bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))

C24H28Fe2O4 — CID 170692910

IUPACbis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))
SMILESOCc1ccc[c-]1CO.OCc1ccc[c-]1CO.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H9O2.2C5H5.2Fe/c2*8-4-6-2-1-3-7(6)5-9;2*1-2-4-5-3-1;;/h2*1-3,8-9H,4-5H2;2*1-5H;;/q4*-1;2*+2
InChIKeyAYVDHODICSZYIU-UHFFFAOYSA-N
MW492.17 g/mol
LogP3.59
Rot. Bonds4

About bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))

bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+)) (PubChem CID 170692910) has the molecular formula C24H28Fe2O4 and a molecular weight of 492.17 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+)).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))
PubChem CID170692910
Molecular FormulaC24H28Fe2O4
Molecular Weight492.17 g/mol
Exact Mass492.07
IUPAC Namebis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))
SMILESOCc1ccc[c-]1CO.OCc1ccc[c-]1CO.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H9O2.2C5H5.2Fe/c2*8-4-6-2-1-3-7(6)5-9;2*1-2-4-5-3-1;;/h2*1-3,8-9H,4-5H2;2*1-5H;;/q4*-1;2*+2
InChIKeyAYVDHODICSZYIU-UHFFFAOYSA-N
XLogP3.59
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.17
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol
CID 146026361
1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 153281106
cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride
CID 157111889
1-[5-(2-aminoethyl)cyclopenta-1,3-dien-1-yl]ethanone;cyclopenta-1,3-diene;iron(2+)
CID 164897890
bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))
CID 15959857
cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
CID 140891390
azanide;chromium(4+);bis(cyclopenta-1,3-diene)
CID 175973666
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640
bis(cyclopenta-1,3-diene);iron(2+);palladium(2+)
CID 175701268
cyclopenta-1,3-diene;ethanol;titanium
CID 23263646
bis(cyclopenta-1,3-diene);iron(2+);phenol
CID 173093815

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))?
The IUPAC name of bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+)) (CID 170692910) is bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+)).
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+)) is OCc1ccc[c-]1CO.OCc1ccc[c-]1CO.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))?
The InChIKey is AYVDHODICSZYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9O2.2C5H5.2Fe/c2*8-4-6-2-1-3-7(6)5-9;2*1-2-4-5-3-1;;/h2*1-3,8-9H,4-5H2;2*1-5H;;/q4*-1;2*+2.
What are the key properties of bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))?
bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+)) has a molecular weight of 492.17 g/mol, XLogP of 3.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+)) is sourced from PubChem (CID 170692910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).