hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)

C20H32HfO8 — CID 11330624

IUPAChafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Hf]
InChIInChI=1S/4C5H8O2.Hf/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/b4*4-3-;
InChIKeyXFRUSXFSJAEXPU-MTOQALJVSA-N
MW578.96 g/mol
LogP4.15
Rot. Bonds4

About hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)

hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one) (PubChem CID 11330624) has the molecular formula C20H32HfO8 and a molecular weight of 578.96 g/mol. Its IUPAC name is hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one).

Molecular Properties

Compound Namehafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
PubChem CID11330624
Molecular FormulaC20H32HfO8
Molecular Weight578.96 g/mol
Exact Mass580.16
IUPAC Namehafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Hf]
InChIInChI=1S/4C5H8O2.Hf/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/b4*4-3-;
InChIKeyXFRUSXFSJAEXPU-MTOQALJVSA-N
XLogP4.15
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.96
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
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
4-hydroxypent-3-en-2-one;titanium
CID 162678859
bis((Z)-4-hydroxypent-3-en-2-one);nickel
CID 5359853
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710
bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese
CID 71311349

Frequently Asked Questions

What is the IUPAC name of hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)?
The IUPAC name of hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one) (CID 11330624) is hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one).
What is the SMILES notation for hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)?
The canonical SMILES for hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one) is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Hf].
What is the InChIKey of hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)?
The InChIKey is XFRUSXFSJAEXPU-MTOQALJVSA-N. The full InChI is InChI=1S/4C5H8O2.Hf/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/b4*4-3-;.
What are the key properties of hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)?
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one) has a molecular weight of 578.96 g/mol, XLogP of 4.15, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one) is sourced from PubChem (CID 11330624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).