terbium;tributyl phosphate

C12H27O4PTb — CID 90187591

IUPACterbium;tributyl phosphate
SMILESCCCCOP(=O)(OCCCC)OCCCC.[Tb]
InChIInChI=1S/C12H27O4P.Tb/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;/h4-12H2,1-3H3;
InChIKeyLHPYJKUFTINSOD-UHFFFAOYSA-N
MW425.24 g/mol
LogP4.54
Rot. Bonds12

About terbium;tributyl phosphate

terbium;tributyl phosphate (PubChem CID 90187591) has the molecular formula C12H27O4PTb and a molecular weight of 425.24 g/mol. Its IUPAC name is terbium;tributyl phosphate.

Molecular Properties

Compound Nameterbium;tributyl phosphate
PubChem CID90187591
Molecular FormulaC12H27O4PTb
Molecular Weight425.24 g/mol
Exact Mass425.09
IUPAC Nameterbium;tributyl phosphate
SMILESCCCCOP(=O)(OCCCC)OCCCC.[Tb]
InChIInChI=1S/C12H27O4P.Tb/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;/h4-12H2,1-3H3;
InChIKeyLHPYJKUFTINSOD-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.24
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
benzene;tributyl phosphate
CID 69440959
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
bis(2-aminoethyl) butyl phosphate
CID 3023662
diheptyl propyl phosphate
CID 22497721
alumane;trioctyl phosphate
CID 175071420
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331

Frequently Asked Questions

What is the IUPAC name of terbium;tributyl phosphate?
The IUPAC name of terbium;tributyl phosphate (CID 90187591) is terbium;tributyl phosphate.
What is the SMILES notation for terbium;tributyl phosphate?
The canonical SMILES for terbium;tributyl phosphate is CCCCOP(=O)(OCCCC)OCCCC.[Tb].
What is the InChIKey of terbium;tributyl phosphate?
The InChIKey is LHPYJKUFTINSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P.Tb/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;/h4-12H2,1-3H3;.
What are the key properties of terbium;tributyl phosphate?
terbium;tributyl phosphate has a molecular weight of 425.24 g/mol, XLogP of 4.54, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for terbium;tributyl phosphate is sourced from PubChem (CID 90187591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).