cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium

C14H20P2Zr-6 — CID 90111305

IUPACcyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium
SMILESCP(C)c1ccc[c-]1P(C)C.[Zr].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H15P2.C5H5.Zr/c1-10(2)8-6-5-7-9(8)11(3)4;1-2-4-5-3-1;/h5-7H,1-4H3;1-5H;/q-1;-5;
InChIKeyOUPRYQTXLUDRBG-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.54
Rot. Bonds2

About cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium

cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium (PubChem CID 90111305) has the molecular formula C14H20P2Zr-6 and a molecular weight of 341.49 g/mol. Its IUPAC name is cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium.

Molecular Properties

Compound Namecyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium
PubChem CID90111305
Molecular FormulaC14H20P2Zr-6
Molecular Weight341.49 g/mol
Exact Mass340.01
IUPAC Namecyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium
SMILESCP(C)c1ccc[c-]1P(C)C.[Zr].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H15P2.C5H5.Zr/c1-10(2)8-6-5-7-9(8)11(3)4;1-2-4-5-3-1;/h5-7H,1-4H3;1-5H;/q-1;-5;
InChIKeyOUPRYQTXLUDRBG-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 87228497
cyclopentane;dicyclohexyl-[5-(1-phosphanylethyl)cyclopenta-1,3-dien-1-yl]phosphane;iron
CID 90214747
cyclopentane;dicyclohexyl-[5-(1-methoxyethyl)cyclopenta-1,3-dien-1-yl]phosphane;iron
CID 87987241
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Frequently Asked Questions

What is the IUPAC name of cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium?
The IUPAC name of cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium (CID 90111305) is cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium.
What is the SMILES notation for cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium?
The canonical SMILES for cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium is CP(C)c1ccc[c-]1P(C)C.[Zr].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium?
The InChIKey is OUPRYQTXLUDRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P2.C5H5.Zr/c1-10(2)8-6-5-7-9(8)11(3)4;1-2-4-5-3-1;/h5-7H,1-4H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium?
cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium has a molecular weight of 341.49 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(2-dimethylphosphanylcyclopenta-2,4-dien-1-yl)-dimethylphosphane;zirconium is sourced from PubChem (CID 90111305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).