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

C11H21CuP+ — CID 87461476

IUPACcopper(1+);cyclopenta-1,3-diene;triethylphosphanium
SMILESCC[PH+](CC)CC.[C-]1=CC=CC1.[Cu+]
InChIInChI=1S/C6H15P.C5H5.Cu/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h4-6H2,1-3H3;1-3H,4H2;/q;-1;+1/p+1
InChIKeyCAQRCHPYGOUCRP-UHFFFAOYSA-O
MW247.81 g/mol
LogP3.56
Rot. Bonds3

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

copper(1+);cyclopenta-1,3-diene;triethylphosphanium (PubChem CID 87461476) has the molecular formula C11H21CuP+ and a molecular weight of 247.81 g/mol. Its IUPAC name is copper(1+);cyclopenta-1,3-diene;triethylphosphanium.

Molecular Properties

Compound Namecopper(1+);cyclopenta-1,3-diene;triethylphosphanium
PubChem CID87461476
Molecular FormulaC11H21CuP+
Molecular Weight247.81 g/mol
Exact Mass247.07
IUPAC Namecopper(1+);cyclopenta-1,3-diene;triethylphosphanium
SMILESCC[PH+](CC)CC.[C-]1=CC=CC1.[Cu+]
InChIInChI=1S/C6H15P.C5H5.Cu/c1-4-7(5-2)6-3;1-2-4-5-3-1;/h4-6H2,1-3H3;1-3H,4H2;/q;-1;+1/p+1
InChIKeyCAQRCHPYGOUCRP-UHFFFAOYSA-O
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.56
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

bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
bis(cyclopenta-1,3-diene);propane;titanium(4+)
CID 21256119
cyclopenta-1,3-diene;platinum;propane
CID 175387408
magnesium;cyclopenta-1,3-diene;propane
CID 140515591
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891
cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide
CID 88816898

Frequently Asked Questions

What is the IUPAC name of copper(1+);cyclopenta-1,3-diene;triethylphosphanium?
The IUPAC name of copper(1+);cyclopenta-1,3-diene;triethylphosphanium (CID 87461476) is copper(1+);cyclopenta-1,3-diene;triethylphosphanium.
What is the SMILES notation for copper(1+);cyclopenta-1,3-diene;triethylphosphanium?
The canonical SMILES for copper(1+);cyclopenta-1,3-diene;triethylphosphanium is CC[PH+](CC)CC.[C-]1=CC=CC1.[Cu+].
What is the InChIKey of copper(1+);cyclopenta-1,3-diene;triethylphosphanium?
The InChIKey is CAQRCHPYGOUCRP-UHFFFAOYSA-O. 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;1-3H,4H2;/q;-1;+1/p+1.
What are the key properties of copper(1+);cyclopenta-1,3-diene;triethylphosphanium?
copper(1+);cyclopenta-1,3-diene;triethylphosphanium has a molecular weight of 247.81 g/mol, XLogP of 3.56, 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;triethylphosphanium is sourced from PubChem (CID 87461476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).