1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron

C14H18Fe-6 — CID 173240550

IUPAC1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron
SMILESC[c-]1[cH-][cH-][cH-][c-]1C.Cc1ccc[c-]1C.[Fe]
InChIInChI=1S/2C7H9.Fe/c2*1-6-4-3-5-7(6)2;/h2*3-5H,1-2H3;/q-5;-1;
InChIKeyMBHSHCXEVCJIQJ-UHFFFAOYSA-N
MW242.14 g/mol
LogP4.04
Rot. Bonds

About 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron

1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron (PubChem CID 173240550) has the molecular formula C14H18Fe-6 and a molecular weight of 242.14 g/mol. Its IUPAC name is 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron.

Molecular Properties

Compound Name1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron
PubChem CID173240550
Molecular FormulaC14H18Fe-6
Molecular Weight242.14 g/mol
Exact Mass242.08
IUPAC Name1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron
SMILESC[c-]1[cH-][cH-][cH-][c-]1C.Cc1ccc[c-]1C.[Fe]
InChIInChI=1S/2C7H9.Fe/c2*1-6-4-3-5-7(6)2;/h2*3-5H,1-2H3;/q-5;-1;
InChIKeyMBHSHCXEVCJIQJ-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 54.04
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

bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
CID 159332319
cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide
CID 157432095
cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)
CID 158954665
bis(2-bromophenol);bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(2+)
CID 87844718
5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane
CID 173240986
1,5-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphole;zirconium(4+);dichloride
CID 158864044
1,5-dibutylcyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;zirconium(2+)
CID 154064625
1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride
CID 161325964
cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
CID 174912786
CID 172746450
CID 172746450
cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron
CID 87186633
cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron
CID 87353614

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron?
The IUPAC name of 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron (CID 173240550) is 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron.
What is the SMILES notation for 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron?
The canonical SMILES for 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron is C[c-]1[cH-][cH-][cH-][c-]1C.Cc1ccc[c-]1C.[Fe].
What is the InChIKey of 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron?
The InChIKey is MBHSHCXEVCJIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.Fe/c2*1-6-4-3-5-7(6)2;/h2*3-5H,1-2H3;/q-5;-1;.
What are the key properties of 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron?
1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron has a molecular weight of 242.14 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron is sourced from PubChem (CID 173240550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).