2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride

C10H19Cl3PZr- — CID 173325373

IUPAC2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride
SMILESCC(CP(C)C)C1=[C-]CC=C1.Cl.Cl.Cl.[Zr]
InChIInChI=1S/C10H16P.3ClH.Zr/c1-9(8-11(2)3)10-6-4-5-7-10;;;;/h4,6,9H,5,8H2,1-3H3;3*1H;/q-1;;;;
InChIKeyBDFVUTYDRVFZCH-UHFFFAOYSA-N
MW367.82 g/mol
LogP4.32
Rot. Bonds3

About 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride

2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride (PubChem CID 173325373) has the molecular formula C10H19Cl3PZr- and a molecular weight of 367.82 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride
PubChem CID173325373
Molecular FormulaC10H19Cl3PZr-
Molecular Weight367.82 g/mol
Exact Mass364.93
IUPAC Name2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride
SMILESCC(CP(C)C)C1=[C-]CC=C1.Cl.Cl.Cl.[Zr]
InChIInChI=1S/C10H16P.3ClH.Zr/c1-9(8-11(2)3)10-6-4-5-7-10;;;;/h4,6,9H,5,8H2,1-3H3;3*1H;/q-1;;;;
InChIKeyBDFVUTYDRVFZCH-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.32
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride (CID 173325373) is 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride is CC(CP(C)C)C1=[C-]CC=C1.Cl.Cl.Cl.[Zr].
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride?
The InChIKey is BDFVUTYDRVFZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16P.3ClH.Zr/c1-9(8-11(2)3)10-6-4-5-7-10;;;;/h4,6,9H,5,8H2,1-3H3;3*1H;/q-1;;;;.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride?
2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride has a molecular weight of 367.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-ylpropyl(dimethyl)phosphane;zirconium;trihydrochloride is sourced from PubChem (CID 173325373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).