carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium

C21H21CoOP — CID 11987204

IUPACcarbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium
SMILES[C-]#[O+].[Co].c1ccc([PH+](CCC[c-]2cccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20P.CO.Co/c1-3-13-19(14-4-1)21(20-15-5-2-6-16-20)17-9-12-18-10-7-8-11-18;1-2;/h1-8,10-11,13-16H,9,12,17H2;;/q-1;;/p+1
InChIKeyYUBPYUIHMWBWDT-UHFFFAOYSA-O
MW379.31 g/mol
LogP4.16
Rot. Bonds6

About carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium

carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium (PubChem CID 11987204) has the molecular formula C21H21CoOP and a molecular weight of 379.31 g/mol. Its IUPAC name is carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium.

Molecular Properties

Compound Namecarbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium
PubChem CID11987204
Molecular FormulaC21H21CoOP
Molecular Weight379.31 g/mol
Exact Mass379.07
IUPAC Namecarbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium
SMILES[C-]#[O+].[Co].c1ccc([PH+](CCC[c-]2cccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20P.CO.Co/c1-3-13-19(14-4-1)21(20-15-5-2-6-16-20)17-9-12-18-10-7-8-11-18;1-2;/h1-8,10-11,13-16H,9,12,17H2;;/q-1;;/p+1
InChIKeyYUBPYUIHMWBWDT-UHFFFAOYSA-O
XLogP4.16
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium?
The IUPAC name of carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium (CID 11987204) is carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium.
What is the SMILES notation for carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium?
The canonical SMILES for carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium is [C-]#[O+].[Co].c1ccc([PH+](CCC[c-]2cccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium?
The InChIKey is YUBPYUIHMWBWDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20P.CO.Co/c1-3-13-19(14-4-1)21(20-15-5-2-6-16-20)17-9-12-18-10-7-8-11-18;1-2;/h1-8,10-11,13-16H,9,12,17H2;;/q-1;;/p+1.
What are the key properties of carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium?
carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium has a molecular weight of 379.31 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium is sourced from PubChem (CID 11987204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).