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

C20H32HfO8 — CID 53393529

IUPAChafnium;tetrakis((E)-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-SMVDYOEFSA-N
MW578.96 g/mol
LogP4.15
Rot. Bonds4

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

hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one) (PubChem CID 53393529) has the molecular formula C20H32HfO8 and a molecular weight of 578.96 g/mol. Its IUPAC name is hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one).

Molecular Properties

Compound Namehafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
PubChem CID53393529
Molecular FormulaC20H32HfO8
Molecular Weight578.96 g/mol
Exact Mass580.16
IUPAC Namehafnium;tetrakis((E)-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-SMVDYOEFSA-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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Frequently Asked Questions

What is the IUPAC name of hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)?
The IUPAC name of hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one) (CID 53393529) is hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one).
What is the SMILES notation for hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)?
The canonical SMILES for hafnium;tetrakis((E)-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((E)-4-hydroxypent-3-en-2-one)?
The InChIKey is XFRUSXFSJAEXPU-SMVDYOEFSA-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((E)-4-hydroxypent-3-en-2-one)?
hafnium;tetrakis((E)-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((E)-4-hydroxypent-3-en-2-one) is sourced from PubChem (CID 53393529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).