cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese

C14H18Mn-6 — CID 175107050

IUPACcyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
SMILESCCc1ccc[c-]1CC.[Mn].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H13.C5H5.Mn/c1-3-8-6-5-7-9(8)4-2;1-2-4-5-3-1;/h5-7H,3-4H2,1-2H3;1-5H;/q-1;-5;
InChIKeyXRCRWYXOMDZWHU-UHFFFAOYSA-N
MW241.24 g/mol
LogP3.93
Rot. Bonds2

About cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese

cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese (PubChem CID 175107050) has the molecular formula C14H18Mn-6 and a molecular weight of 241.24 g/mol. Its IUPAC name is cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese.

Molecular Properties

Compound Namecyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
PubChem CID175107050
Molecular FormulaC14H18Mn-6
Molecular Weight241.24 g/mol
Exact Mass241.08
IUPAC Namecyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
SMILESCCc1ccc[c-]1CC.[Mn].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H13.C5H5.Mn/c1-3-8-6-5-7-9(8)4-2;1-2-4-5-3-1;/h5-7H,3-4H2,1-2H3;1-5H;/q-1;-5;
InChIKeyXRCRWYXOMDZWHU-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese?
The IUPAC name of cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese (CID 175107050) is cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese.
What is the SMILES notation for cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese?
The canonical SMILES for cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese is CCc1ccc[c-]1CC.[Mn].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese?
The InChIKey is XRCRWYXOMDZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C5H5.Mn/c1-3-8-6-5-7-9(8)4-2;1-2-4-5-3-1;/h5-7H,3-4H2,1-2H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese?
cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese has a molecular weight of 241.24 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese is sourced from PubChem (CID 175107050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).