cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron

C28H34Fe2-8 — CID 173056174

IUPACcyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron
SMILESCCCCCCCC([c-]1cccc1)[c-]1cccc1.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C18H24.2C5H5.2Fe/c1-2-3-4-5-6-15-18(16-11-7-8-12-16)17-13-9-10-14-17;2*1-2-4-5-3-1;;/h7-14,18H,2-6,15H2,1H3;2*1-5H;;/q-2;-5;-1;;
InChIKeySIHSMRRQBKZBBL-UHFFFAOYSA-N
MW482.27 g/mol
LogP8.42
Rot. Bonds8

About cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron

cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron (PubChem CID 173056174) has the molecular formula C28H34Fe2-8 and a molecular weight of 482.27 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron
PubChem CID173056174
Molecular FormulaC28H34Fe2-8
Molecular Weight482.27 g/mol
Exact Mass482.14
IUPAC Namecyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron
SMILESCCCCCCCC([c-]1cccc1)[c-]1cccc1.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C18H24.2C5H5.2Fe/c1-2-3-4-5-6-15-18(16-11-7-8-12-16)17-13-9-10-14-17;2*1-2-4-5-3-1;;/h7-14,18H,2-6,15H2,1H3;2*1-5H;;/q-2;-5;-1;;
InChIKeySIHSMRRQBKZBBL-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.27
LogP ≤ 58.42
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;iron;5-tetradecylcyclopenta-1,3-diene
CID 175437566
2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron
CID 170566479
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
15-methylhexatriacontane
CID 86002594
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
10,16-dimethyldotriacontane
CID 91748795
6-methyloctacosane
CID 22223942
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron?
The IUPAC name of cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron (CID 173056174) is cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron.
What is the SMILES notation for cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron?
The canonical SMILES for cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron is CCCCCCCC([c-]1cccc1)[c-]1cccc1.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron?
The InChIKey is SIHSMRRQBKZBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.2C5H5.2Fe/c1-2-3-4-5-6-15-18(16-11-7-8-12-16)17-13-9-10-14-17;2*1-2-4-5-3-1;;/h7-14,18H,2-6,15H2,1H3;2*1-5H;;/q-2;-5;-1;;.
What are the key properties of cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron?
cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron has a molecular weight of 482.27 g/mol, XLogP of 8.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron is sourced from PubChem (CID 173056174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).