cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron

C22H34Fe-6 — CID 173056293

IUPACcyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron
SMILESCCCCCCc1ccc[c-]1CCCCCC.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C17H29.C5H5.Fe/c1-3-5-7-9-12-16-14-11-15-17(16)13-10-8-6-4-2;1-2-4-5-3-1;/h11,14-15H,3-10,12-13H2,1-2H3;1-5H;/q-1;-5;
InChIKeyLDCHMVDSOXFOHG-UHFFFAOYSA-N
MW354.36 g/mol
LogP7.05
Rot. Bonds10

About cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron

cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron (PubChem CID 173056293) has the molecular formula C22H34Fe-6 and a molecular weight of 354.36 g/mol. Its IUPAC name is cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron.

Molecular Properties

Compound Namecyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron
PubChem CID173056293
Molecular FormulaC22H34Fe-6
Molecular Weight354.36 g/mol
Exact Mass354.20
IUPAC Namecyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron
SMILESCCCCCCc1ccc[c-]1CCCCCC.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C17H29.C5H5.Fe/c1-3-5-7-9-12-16-14-11-15-17(16)13-10-8-6-4-2;1-2-4-5-3-1;/h11,14-15H,3-10,12-13H2,1-2H3;1-5H;/q-1;-5;
InChIKeyLDCHMVDSOXFOHG-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;1,5-dibutylcyclopenta-1,3-diene;iron
CID 173322079
1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 153281106
1,5-dibutylcyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;zirconium(2+)
CID 154064625
cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene
CID 175437566
magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)
CID 169222856
cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron
CID 87285163
cyclopentane;(2-dioctylphosphanylcyclopenta-2,4-dien-1-yl)-dioctylphosphane;iron
CID 90111916
cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol
CID 146026361
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron?
The IUPAC name of cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron (CID 173056293) is cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron.
What is the SMILES notation for cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron?
The canonical SMILES for cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron is CCCCCCc1ccc[c-]1CCCCCC.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron?
The InChIKey is LDCHMVDSOXFOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29.C5H5.Fe/c1-3-5-7-9-12-16-14-11-15-17(16)13-10-8-6-4-2;1-2-4-5-3-1;/h11,14-15H,3-10,12-13H2,1-2H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron?
cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron has a molecular weight of 354.36 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron is sourced from PubChem (CID 173056293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).