tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate

C15H26O7Tb — CID 22836474

IUPACtris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.O.[Tb]
InChIInChI=1S/3C5H8O2.H2O.Tb/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;1H2;/b3*4-3-;;
InChIKeyPJBUHWWNZBQTMM-KJVLTGTBSA-N
MW477.29 g/mol
LogP2.29
Rot. Bonds3

About tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate

tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate (PubChem CID 22836474) has the molecular formula C15H26O7Tb and a molecular weight of 477.29 g/mol. Its IUPAC name is tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate.

Molecular Properties

Compound Nametris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate
PubChem CID22836474
Molecular FormulaC15H26O7Tb
Molecular Weight477.29 g/mol
Exact Mass477.09
IUPAC Nametris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.O.[Tb]
InChIInChI=1S/3C5H8O2.H2O.Tb/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;1H2;/b3*4-3-;;
InChIKeyPJBUHWWNZBQTMM-KJVLTGTBSA-N
XLogP2.29
TPSA143.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.29
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate
CID 164687665
tris(4-hydroxypent-3-en-2-one);thulium;hydrate
CID 146157253
copper;(Z)-4-hydroxypent-3-en-2-one;hydrate
CID 87530564
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
CID 10892468
CID 10892468
CID 6826582
CID 6826582

Frequently Asked Questions

What is the IUPAC name of tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate?
The IUPAC name of tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate (CID 22836474) is tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate.
What is the SMILES notation for tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate?
The canonical SMILES for tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.O.[Tb].
What is the InChIKey of tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate?
The InChIKey is PJBUHWWNZBQTMM-KJVLTGTBSA-N. The full InChI is InChI=1S/3C5H8O2.H2O.Tb/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;1H2;/b3*4-3-;;.
What are the key properties of tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate?
tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate has a molecular weight of 477.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate is sourced from PubChem (CID 22836474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).