pentakis(2-butoxyethanolate);tantalum(5+)

C30H65O10Ta — CID 22112128

IUPACpentakis(2-butoxyethanolate);tantalum(5+)
SMILESCCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].[Ta+5]
InChIInChI=1S/5C6H13O2.Ta/c5*1-2-3-5-8-6-4-7;/h5*2-6H2,1H3;/q5*-1;+5
InChIKeyLYYFMCXRVRKMCY-UHFFFAOYSA-N
MW766.79 g/mol
LogP0.81
Rot. Bonds25

About pentakis(2-butoxyethanolate);tantalum(5+)

pentakis(2-butoxyethanolate);tantalum(5+) (PubChem CID 22112128) has the molecular formula C30H65O10Ta and a molecular weight of 766.79 g/mol. Its IUPAC name is pentakis(2-butoxyethanolate);tantalum(5+).

Molecular Properties

Compound Namepentakis(2-butoxyethanolate);tantalum(5+)
PubChem CID22112128
Molecular FormulaC30H65O10Ta
Molecular Weight766.79 g/mol
Exact Mass766.41
IUPAC Namepentakis(2-butoxyethanolate);tantalum(5+)
SMILESCCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].[Ta+5]
InChIInChI=1S/5C6H13O2.Ta/c5*1-2-3-5-8-6-4-7;/h5*2-6H2,1H3;/q5*-1;+5
InChIKeyLYYFMCXRVRKMCY-UHFFFAOYSA-N
XLogP0.81
TPSA161.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.79
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

barium(2+);bis(2-butoxyethanolate)
CID 19598526
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1-butoxybutane;methoxymethane
CID 18401298
aluminum;1-butoxybutane;hydride
CID 174684135
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
1-butoxypentane;niobium
CID 175363169
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-butoxybutane;N-methylmethanamine
CID 88830911
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-butoxydotriacontane
CID 91693232

Frequently Asked Questions

What is the IUPAC name of pentakis(2-butoxyethanolate);tantalum(5+)?
The IUPAC name of pentakis(2-butoxyethanolate);tantalum(5+) (CID 22112128) is pentakis(2-butoxyethanolate);tantalum(5+).
What is the SMILES notation for pentakis(2-butoxyethanolate);tantalum(5+)?
The canonical SMILES for pentakis(2-butoxyethanolate);tantalum(5+) is CCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].CCCCOCC[O-].[Ta+5].
What is the InChIKey of pentakis(2-butoxyethanolate);tantalum(5+)?
The InChIKey is LYYFMCXRVRKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H13O2.Ta/c5*1-2-3-5-8-6-4-7;/h5*2-6H2,1H3;/q5*-1;+5.
What are the key properties of pentakis(2-butoxyethanolate);tantalum(5+)?
pentakis(2-butoxyethanolate);tantalum(5+) has a molecular weight of 766.79 g/mol, XLogP of 0.81, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2-butoxyethanolate);tantalum(5+) is sourced from PubChem (CID 22112128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).