carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)

C26H39N2O3PRu — CID 70679268

IUPACcarbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)
SMILESCC(C)(C)P(Cc1cccc(-c2ccccn2)n1)C(C)(C)C.CCCCCC(=O)[O-].[C-]#[O+].[H-].[Ru+2]
InChIInChI=1S/C19H27N2P.C6H12O2.CO.Ru.H/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16;1-2-3-4-5-6(7)8;1-2;;/h7-13H,14H2,1-6H3;2-5H2,1H3,(H,7,8);;;/q;;;+2;-1/p-1
InChIKeyJLSPALOGWHHHAM-UHFFFAOYSA-M
MW559.65 g/mol
LogP6.11
Rot. Bonds7

About carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)

carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+) (PubChem CID 70679268) has the molecular formula C26H39N2O3PRu and a molecular weight of 559.65 g/mol. Its IUPAC name is carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+).

Molecular Properties

Compound Namecarbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)
PubChem CID70679268
Molecular FormulaC26H39N2O3PRu
Molecular Weight559.65 g/mol
Exact Mass560.17
IUPAC Namecarbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)
SMILESCC(C)(C)P(Cc1cccc(-c2ccccn2)n1)C(C)(C)C.CCCCCC(=O)[O-].[C-]#[O+].[H-].[Ru+2]
InChIInChI=1S/C19H27N2P.C6H12O2.CO.Ru.H/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16;1-2-3-4-5-6(7)8;1-2;;/h7-13H,14H2,1-6H3;2-5H2,1H3,(H,7,8);;;/q;;;+2;-1/p-1
InChIKeyJLSPALOGWHHHAM-UHFFFAOYSA-M
XLogP6.11
TPSA85.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.65
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+) with MolForge

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Related Compounds

carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)
CID 70679274
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
2,2-dimethyl-1-pyridin-2-yloctan-3-one
CID 143251368
6-pyridin-2-ylhexanoate
CID 7109691
ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
CID 139080605
hexanoate;triphenylazanium
CID 139301475
1-pyridin-2-yldecan-2-one
CID 62622628
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
bis(octadecanoate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium
CID 50937250
decanoate;phenylmercury(1+)
CID 70457724
copper bis(tricosanoate)
CID 158584848

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)?
The IUPAC name of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+) (CID 70679268) is carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+).
What is the SMILES notation for carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)?
The canonical SMILES for carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+) is CC(C)(C)P(Cc1cccc(-c2ccccn2)n1)C(C)(C)C.CCCCCC(=O)[O-].[C-]#[O+].[H-].[Ru+2].
What is the InChIKey of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)?
The InChIKey is JLSPALOGWHHHAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H27N2P.C6H12O2.CO.Ru.H/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16;1-2-3-4-5-6(7)8;1-2;;/h7-13H,14H2,1-6H3;2-5H2,1H3,(H,7,8);;;/q;;;+2;-1/p-1.
What are the key properties of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)?
carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+) has a molecular weight of 559.65 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+) is sourced from PubChem (CID 70679268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).