cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium

C11H19Cl3PZr-2 — CID 154420865

IUPACcyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium
SMILESC[C-](C)CP(C)C.Cl[Zr](Cl)Cl.c1cc[cH-]c1
InChIInChI=1S/C6H14P.C5H5.3ClH.Zr/c1-6(2)5-7(3)4;1-2-4-5-3-1;;;;/h5H2,1-4H3;1-5H;3*1H;/q2*-1;;;;+3/p-3
InChIKeyJVUCEMYTVKRHQS-UHFFFAOYSA-K
MW379.83 g/mol
LogP5.81
Rot. Bonds2

About cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium

cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium (PubChem CID 154420865) has the molecular formula C11H19Cl3PZr-2 and a molecular weight of 379.83 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium
PubChem CID154420865
Molecular FormulaC11H19Cl3PZr-2
Molecular Weight379.83 g/mol
Exact Mass376.93
IUPAC Namecyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium
SMILESC[C-](C)CP(C)C.Cl[Zr](Cl)Cl.c1cc[cH-]c1
InChIInChI=1S/C6H14P.C5H5.3ClH.Zr/c1-6(2)5-7(3)4;1-2-4-5-3-1;;;;/h5H2,1-4H3;1-5H;3*1H;/q2*-1;;;;+3/p-3
InChIKeyJVUCEMYTVKRHQS-UHFFFAOYSA-K
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.83
LogP ≤ 55.81
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'}

Analyze cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium?
The IUPAC name of cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium (CID 154420865) is cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium.
What is the SMILES notation for cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium?
The canonical SMILES for cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium is C[C-](C)CP(C)C.Cl[Zr](Cl)Cl.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium?
The InChIKey is JVUCEMYTVKRHQS-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H14P.C5H5.3ClH.Zr/c1-6(2)5-7(3)4;1-2-4-5-3-1;;;;/h5H2,1-4H3;1-5H;3*1H;/q2*-1;;;;+3/p-3.
What are the key properties of cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium?
cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium has a molecular weight of 379.83 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dimethyl(2-methylpropyl)phosphane;trichlorozirconium is sourced from PubChem (CID 154420865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).