carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium

C20H32MoO4PS-5 — CID 6387305

IUPACcarbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium
SMILESCCCC[PH+](CCCC)CCCC.CS(=O)[O-].[C-]#[O+].[C-]#[O+].[Mo].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C12H27P.C5H.CH4O2S.2CO.Mo/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-5-3-1;1-4(2)3;2*1-2;/h4-12H2,1-3H3;1H;1H3,(H,2,3);;;/q;-5;;;;
InChIKeyIXGVFXAUBNCXET-UHFFFAOYSA-N
MW495.45 g/mol
LogP4.62
Rot. Bonds9

About carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium

carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium (PubChem CID 6387305) has the molecular formula C20H32MoO4PS-5 and a molecular weight of 495.45 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium
PubChem CID6387305
Molecular FormulaC20H32MoO4PS-5
Molecular Weight495.45 g/mol
Exact Mass497.08
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium
SMILESCCCC[PH+](CCCC)CCCC.CS(=O)[O-].[C-]#[O+].[C-]#[O+].[Mo].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C12H27P.C5H.CH4O2S.2CO.Mo/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-5-3-1;1-4(2)3;2*1-2;/h4-12H2,1-3H3;1H;1H3,(H,2,3);;;/q;-5;;;;
InChIKeyIXGVFXAUBNCXET-UHFFFAOYSA-N
XLogP4.62
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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CID 4552866
carbon monoxide;tributylphosphanium;tungsten
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tributylphosphanium sulfate
CID 19846650
platinum;bis(tributylphosphanium);dinitrite
CID 6333212
nickel(2+);bis(tributylphosphanium);dibromide
CID 171703323
cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)
CID 131697939
carbanide;methanesulfinate;tungsten(2+)
CID 22951813
lithium;octane;sulfite
CID 122668940
palladium;bis(trioctylphosphanium)
CID 88742312
strontium methanesulfinate
CID 140863677
1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium
CID 162068588
hex-1-yne-1-sulfinate
CID 57440958

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium (CID 6387305) is carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium is CCCC[PH+](CCCC)CCCC.CS(=O)[O-].[C-]#[O+].[C-]#[O+].[Mo].[c-]1[c-][c-][cH-][c-]1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium?
The InChIKey is IXGVFXAUBNCXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.C5H.CH4O2S.2CO.Mo/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-5-3-1;1-4(2)3;2*1-2;/h4-12H2,1-3H3;1H;1H3,(H,2,3);;;/q;-5;;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium?
carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium has a molecular weight of 495.45 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;methanesulfinate;molybdenum;tributylphosphanium is sourced from PubChem (CID 6387305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).