1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron

C13H17ClFeO2-6 — CID 175483222

IUPAC1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron
SMILESCC(C)[c-]1cccc1Cl.OO.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C8H10Cl.C5H5.Fe.H2O2/c1-6(2)7-4-3-5-8(7)9;1-2-4-5-3-1;;1-2/h3-6H,1-2H3;1-5H;;1-2H/q-1;-5;;
InChIKeyUWXRZOBNRJXJNJ-UHFFFAOYSA-N
MW296.58 g/mol
LogP4.60
Rot. Bonds1

About 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron

1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron (PubChem CID 175483222) has the molecular formula C13H17ClFeO2-6 and a molecular weight of 296.58 g/mol. Its IUPAC name is 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron.

Molecular Properties

Compound Name1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron
PubChem CID175483222
Molecular FormulaC13H17ClFeO2-6
Molecular Weight296.58 g/mol
Exact Mass296.03
IUPAC Name1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron
SMILESCC(C)[c-]1cccc1Cl.OO.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C8H10Cl.C5H5.Fe.H2O2/c1-6(2)7-4-3-5-8(7)9;1-2-4-5-3-1;;1-2/h3-6H,1-2H3;1-5H;;1-2H/q-1;-5;;
InChIKeyUWXRZOBNRJXJNJ-UHFFFAOYSA-N
XLogP4.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron?
The IUPAC name of 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron (CID 175483222) is 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron.
What is the SMILES notation for 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron?
The canonical SMILES for 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron is CC(C)[c-]1cccc1Cl.OO.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron?
The InChIKey is UWXRZOBNRJXJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl.C5H5.Fe.H2O2/c1-6(2)7-4-3-5-8(7)9;1-2-4-5-3-1;;1-2/h3-6H,1-2H3;1-5H;;1-2H/q-1;-5;;.
What are the key properties of 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron?
1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron has a molecular weight of 296.58 g/mol, XLogP of 4.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron is sourced from PubChem (CID 175483222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).