cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate

C35H89Co2F3O25P6Ru2S+6 — CID 23304795

IUPACcobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate
SMILESC1CCCC1.C1CCCC1.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.O.O.O.O.O=S(=O)(O)C(F)(F)F.[Co].[Co].[Ru].[Ru]
InChIInChI=1S/2C5H10.6C4H10O3P.CHF3O3S.2Co.4H2O.2Ru/c2*1-2-4-5-3-1;6*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;;;;;/h2*1-5H2;6*3-4H2,1-2H3;(H,5,6,7);;;4*1H2;;/q;;6*+1;;;;;;;;;
InChIKeyMAFBZYVVBYKCPT-UHFFFAOYSA-N
MW1504.98 g/mol
LogP11.29
Rot. Bonds24

About cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate

cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate (PubChem CID 23304795) has the molecular formula C35H89Co2F3O25P6Ru2S+6 and a molecular weight of 1504.98 g/mol. Its IUPAC name is cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate.

Molecular Properties

Compound Namecobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate
PubChem CID23304795
Molecular FormulaC35H89Co2F3O25P6Ru2S+6
Molecular Weight1504.98 g/mol
Exact Mass1506.05
IUPAC Namecobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate
SMILESC1CCCC1.C1CCCC1.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.O.O.O.O.O=S(=O)(O)C(F)(F)F.[Co].[Co].[Ru].[Ru]
InChIInChI=1S/2C5H10.6C4H10O3P.CHF3O3S.2Co.4H2O.2Ru/c2*1-2-4-5-3-1;6*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;;;;;/h2*1-5H2;6*3-4H2,1-2H3;(H,5,6,7);;;4*1H2;;/q;;6*+1;;;;;;;;;
InChIKeyMAFBZYVVBYKCPT-UHFFFAOYSA-N
XLogP11.29
TPSA393.55 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.98
LogP ≤ 511.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate?
The IUPAC name of cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate (CID 23304795) is cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate.
What is the SMILES notation for cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate?
The canonical SMILES for cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate is C1CCCC1.C1CCCC1.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.CCO[P+](=O)OCC.O.O.O.O.O=S(=O)(O)C(F)(F)F.[Co].[Co].[Ru].[Ru].
What is the InChIKey of cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate?
The InChIKey is MAFBZYVVBYKCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.6C4H10O3P.CHF3O3S.2Co.4H2O.2Ru/c2*1-2-4-5-3-1;6*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;;;;;/h2*1-5H2;6*3-4H2,1-2H3;(H,5,6,7);;;4*1H2;;/q;;6*+1;;;;;;;;;.
What are the key properties of cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate?
cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate has a molecular weight of 1504.98 g/mol, XLogP of 11.29, 24 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate is sourced from PubChem (CID 23304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).