copper(1+);cyclopenta-1,3-diene;triethylphosphane

C11H20CuP — CID 118855782

IUPACcopper(1+);cyclopenta-1,3-diene;triethylphosphane
SMILESCCP(CC)CC.[Cu+].c1cc[cH-]c1
InChIInChI=1S/C6H15P.C5H5.Cu/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h4-6H2,1-3H3;1-5H;/q;-1;+1
InChIKeyHFLGHHCQULGGMX-UHFFFAOYSA-N
MW246.80 g/mol
LogP3.93
Rot. Bonds3

About copper(1+);cyclopenta-1,3-diene;triethylphosphane

copper(1+);cyclopenta-1,3-diene;triethylphosphane (PubChem CID 118855782) has the molecular formula C11H20CuP and a molecular weight of 246.80 g/mol. Its IUPAC name is copper(1+);cyclopenta-1,3-diene;triethylphosphane.

Molecular Properties

Compound Namecopper(1+);cyclopenta-1,3-diene;triethylphosphane
PubChem CID118855782
Molecular FormulaC11H20CuP
Molecular Weight246.80 g/mol
Exact Mass246.06
IUPAC Namecopper(1+);cyclopenta-1,3-diene;triethylphosphane
SMILESCCP(CC)CC.[Cu+].c1cc[cH-]c1
InChIInChI=1S/C6H15P.C5H5.Cu/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h4-6H2,1-3H3;1-5H;/q;-1;+1
InChIKeyHFLGHHCQULGGMX-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.80
LogP ≤ 53.93
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 copper(1+);cyclopenta-1,3-diene;triethylphosphane 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 copper(1+);cyclopenta-1,3-diene;triethylphosphane?
The IUPAC name of copper(1+);cyclopenta-1,3-diene;triethylphosphane (CID 118855782) is copper(1+);cyclopenta-1,3-diene;triethylphosphane.
What is the SMILES notation for copper(1+);cyclopenta-1,3-diene;triethylphosphane?
The canonical SMILES for copper(1+);cyclopenta-1,3-diene;triethylphosphane is CCP(CC)CC.[Cu+].c1cc[cH-]c1.
What is the InChIKey of copper(1+);cyclopenta-1,3-diene;triethylphosphane?
The InChIKey is HFLGHHCQULGGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15P.C5H5.Cu/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h4-6H2,1-3H3;1-5H;/q;-1;+1.
What are the key properties of copper(1+);cyclopenta-1,3-diene;triethylphosphane?
copper(1+);cyclopenta-1,3-diene;triethylphosphane has a molecular weight of 246.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);cyclopenta-1,3-diene;triethylphosphane is sourced from PubChem (CID 118855782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).