1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)

C24H38Fe — CID 153281106

IUPAC1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESCCCCCCCCCC[c-]1cccc1CCCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C19H33.C5H5.Fe/c1-3-5-7-8-9-10-11-12-15-19-17-13-16-18(19)14-6-4-2;1-2-4-5-3-1;/h13,16-17H,3-12,14-15H2,1-2H3;1-5H;/q2*-1;+2
InChIKeyBFSZGFXRFOWUMG-UHFFFAOYSA-N
MW382.41 g/mol
LogP7.83
Rot. Bonds12

About 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)

1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (PubChem CID 153281106) has the molecular formula C24H38Fe and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
PubChem CID153281106
Molecular FormulaC24H38Fe
Molecular Weight382.41 g/mol
Exact Mass382.23
IUPAC Name1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESCCCCCCCCCC[c-]1cccc1CCCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C19H33.C5H5.Fe/c1-3-5-7-8-9-10-11-12-15-19-17-13-16-18(19)14-6-4-2;1-2-4-5-3-1;/h13,16-17H,3-12,14-15H2,1-2H3;1-5H;/q2*-1;+2
InChIKeyBFSZGFXRFOWUMG-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 57.83
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-dihexylcyclopenta-1,3-diene;iron
CID 173056293
cyclopentane;1,5-dibutylcyclopenta-1,3-diene;iron
CID 173322079
cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol
CID 146026361
1,5-dibutylcyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;zirconium(2+)
CID 154064625
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
bis(cyclopenta-1,3-diene);bis(1-decyl-2,4-difluorobenzene-3-ide);titanium(4+)
CID 172819800
cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)
CID 160916773
bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)
CID 174299170
magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)
CID 169222856
CID 160550047
CID 160550047
1,2-dibutylcyclopenta-1,3-diene;iron(2+);1,2,5-tributylcyclopenta-1,3-diene
CID 158424496

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (CID 153281106) is 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is CCCCCCCCCC[c-]1cccc1CCCC.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is BFSZGFXRFOWUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33.C5H5.Fe/c1-3-5-7-8-9-10-11-12-15-19-17-13-16-18(19)14-6-4-2;1-2-4-5-3-1;/h13,16-17H,3-12,14-15H2,1-2H3;1-5H;/q2*-1;+2.
What are the key properties of 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 382.41 g/mol, XLogP of 7.83, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 153281106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).