carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate

C24H73O11Ta4- — CID 162165388

IUPACcarbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(O)O.O.O.O.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta+2].[Ta+2].[Ta].[Ta]
InChIInChI=1S/4C4H10O.C3H8O2.5CH3.5H2O.4Ta/c4*1-4(2,3)5;1-3(2,4)5;;;;;;;;;;;;;;/h4*5H,1-3H3;4-5H,1-2H3;5*1H3;5*1H2;;;;/q;;;;;5*-1;;;;;;;;2*+2
InChIKeyMUQMMVCWZNPCJM-UHFFFAOYSA-N
MW1261.63 g/mol
LogP0.93
Rot. Bonds

About carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate

carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate (PubChem CID 162165388) has the molecular formula C24H73O11Ta4- and a molecular weight of 1261.63 g/mol. Its IUPAC name is carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate.

Molecular Properties

Compound Namecarbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate
PubChem CID162165388
Molecular FormulaC24H73O11Ta4-
Molecular Weight1261.63 g/mol
Exact Mass1261.31
IUPAC Namecarbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(O)O.O.O.O.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta+2].[Ta+2].[Ta].[Ta]
InChIInChI=1S/4C4H10O.C3H8O2.5CH3.5H2O.4Ta/c4*1-4(2,3)5;1-3(2,4)5;;;;;;;;;;;;;;/h4*5H,1-3H3;4-5H,1-2H3;5*1H3;5*1H2;;;;/q;;;;;5*-1;;;;;;;;2*+2
InChIKeyMUQMMVCWZNPCJM-UHFFFAOYSA-N
XLogP0.93
TPSA278.88 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.63
LogP ≤ 50.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

potassium;carbanide;2-methylpropan-2-ol
CID 87884731
carbanide;2-methylpropan-2-ol;tungsten
CID 58800760
carbanide;2-methylpropan-2-ol;titanium
CID 174438258
carbanide;hafnium;2-methylpropan-2-ol
CID 58898548
2-methylpropan-2-ol;neodymium
CID 154348927
2-methylpropan-2-ol;molybdenum
CID 174435313
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
methane;2-methylpropan-2-ol
CID 157161859
2-methylpropan-2-ol;titanium(4+)
CID 159912750
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
alumane;2-methylpropan-2-ol;hydrochloride
CID 174748525

Frequently Asked Questions

What is the IUPAC name of carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate?
The IUPAC name of carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate (CID 162165388) is carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate.
What is the SMILES notation for carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate?
The canonical SMILES for carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate is CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(O)O.O.O.O.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta+2].[Ta+2].[Ta].[Ta].
What is the InChIKey of carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate?
The InChIKey is MUQMMVCWZNPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10O.C3H8O2.5CH3.5H2O.4Ta/c4*1-4(2,3)5;1-3(2,4)5;;;;;;;;;;;;;;/h4*5H,1-3H3;4-5H,1-2H3;5*1H3;5*1H2;;;;/q;;;;;5*-1;;;;;;;;2*+2.
What are the key properties of carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate?
carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate has a molecular weight of 1261.63 g/mol, XLogP of 0.93, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate is sourced from PubChem (CID 162165388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).