2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron

C22H34Fe-6 — CID 173240829

IUPAC2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron
SMILESCCC[c-]1[cH-][cH-][c-](CCC)[cH-]1.CCCc1cc[c-](CCC)c1.[Fe]
InChIInChI=1S/2C11H17.Fe/c2*1-3-5-10-7-8-11(9-10)6-4-2;/h2*7-9H,3-6H2,1-2H3;/q-5;-1;
InChIKeyQEPLWJAEJAMYBU-UHFFFAOYSA-N
MW354.36 g/mol
LogP6.62
Rot. Bonds8

About 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron

2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron (PubChem CID 173240829) has the molecular formula C22H34Fe-6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron.

Molecular Properties

Compound Name2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron
PubChem CID173240829
Molecular FormulaC22H34Fe-6
Molecular Weight354.36 g/mol
Exact Mass354.20
IUPAC Name2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron
SMILESCCC[c-]1[cH-][cH-][c-](CCC)[cH-]1.CCCc1cc[c-](CCC)c1.[Fe]
InChIInChI=1S/2C11H17.Fe/c2*1-3-5-10-7-8-11(9-10)6-4-2;/h2*7-9H,3-6H2,1-2H3;/q-5;-1;
InChIKeyQEPLWJAEJAMYBU-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

magnesium bis(2,5-dibutylcyclopenta-1,3-diene)
CID 169222882
bis(2,5-dibutylcyclopenta-1,3-diene);zirconium(2+)
CID 154068385
bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
CID 154047489
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
(4-propylphenyl) hypochlorite
CID 175330115
1,4-dipropylpyridin-1-ium
CID 69396586
propylbenzene tetraiodide
CID 23321652
5-propylcyclopenta-1,3-diene;zirconium(3+);dichloride
CID 175833088
propylbenzene;hydrobromide
CID 70024036
1-[bis(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)methyl]-3-methylbenzene;titanium(4+);trichloride
CID 157133759

Frequently Asked Questions

What is the IUPAC name of 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron?
The IUPAC name of 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron (CID 173240829) is 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron.
What is the SMILES notation for 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron?
The canonical SMILES for 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron is CCC[c-]1[cH-][cH-][c-](CCC)[cH-]1.CCCc1cc[c-](CCC)c1.[Fe].
What is the InChIKey of 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron?
The InChIKey is QEPLWJAEJAMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17.Fe/c2*1-3-5-10-7-8-11(9-10)6-4-2;/h2*7-9H,3-6H2,1-2H3;/q-5;-1;.
What are the key properties of 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron?
2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron has a molecular weight of 354.36 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropylcyclopenta-1,3-diene;1,3-dipropylcyclopentane;iron is sourced from PubChem (CID 173240829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).