disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese

C14H22Mn2Na2O11P2+2 — CID 11114554

IUPACdisodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese
SMILESCCOP(O)OCC.CCOPOCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].[Na+].[Na+]
InChIInChI=1S/C4H11O3P.C4H11O2P.6CO.2Mn.2Na/c1-3-6-8(5)7-4-2;1-3-5-7-6-4-2;6*1-2;;;;/h5H,3-4H2,1-2H3;7H,3-4H2,1-2H3;;;;;;;;;;/q;;;;;;;;;;2*+1
InChIKeyXYOXSUOIMCQKEK-UHFFFAOYSA-N
MW584.12 g/mol
LogP-3.38
Rot. Bonds8

About disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese

disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese (PubChem CID 11114554) has the molecular formula C14H22Mn2Na2O11P2+2 and a molecular weight of 584.12 g/mol. Its IUPAC name is disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese.

Molecular Properties

Compound Namedisodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese
PubChem CID11114554
Molecular FormulaC14H22Mn2Na2O11P2+2
Molecular Weight584.12 g/mol
Exact Mass583.92
IUPAC Namedisodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese
SMILESCCOP(O)OCC.CCOPOCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].[Na+].[Na+]
InChIInChI=1S/C4H11O3P.C4H11O2P.6CO.2Mn.2Na/c1-3-6-8(5)7-4-2;1-3-5-7-6-4-2;6*1-2;;;;/h5H,3-4H2,1-2H3;7H,3-4H2,1-2H3;;;;;;;;;;/q;;;;;;;;;;2*+1
InChIKeyXYOXSUOIMCQKEK-UHFFFAOYSA-N
XLogP-3.38
TPSA176.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.12
LogP ≤ 5-3.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

diethyl hydrogen phosphite
CID 12977
diethyl hydrogen phosphite;mercury
CID 54602640
acetic acid;diethyl hydrogen phosphite;mercury
CID 21535
bromoethene;diethyl hydrogen phosphite
CID 88780762
azane;ethyl methyl hydrogen phosphite
CID 173447260
diethyl hydrogen phosphite;toluene
CID 162138652
phosphorous acid;triethyl phosphite
CID 174300225
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate
CID 88743708
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
ethoxy(trifluoromethyl)phosphinous acid
CID 171931307

Frequently Asked Questions

What is the IUPAC name of disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese?
The IUPAC name of disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese (CID 11114554) is disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese.
What is the SMILES notation for disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese?
The canonical SMILES for disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese is CCOP(O)OCC.CCOPOCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].[Na+].[Na+].
What is the InChIKey of disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese?
The InChIKey is XYOXSUOIMCQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.C4H11O2P.6CO.2Mn.2Na/c1-3-6-8(5)7-4-2;1-3-5-7-6-4-2;6*1-2;;;;/h5H,3-4H2,1-2H3;7H,3-4H2,1-2H3;;;;;;;;;;/q;;;;;;;;;;2*+1.
What are the key properties of disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese?
disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese has a molecular weight of 584.12 g/mol, XLogP of -3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese is sourced from PubChem (CID 11114554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).