bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese

C15H24MnO6 — CID 71311349

IUPACbis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.[Mn]
InChIInChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b4-3+;2*4-3-;
InChIKeyRDMHXWZYVFGYSF-RKFKAVRRSA-N
MW355.29 g/mol
LogP3.11
Rot. Bonds3

About bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese

bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese (PubChem CID 71311349) has the molecular formula C15H24MnO6 and a molecular weight of 355.29 g/mol. Its IUPAC name is bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese.

Molecular Properties

Compound Namebis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese
PubChem CID71311349
Molecular FormulaC15H24MnO6
Molecular Weight355.29 g/mol
Exact Mass355.10
IUPAC Namebis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.[Mn]
InChIInChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b4-3+;2*4-3-;
InChIKeyRDMHXWZYVFGYSF-RKFKAVRRSA-N
XLogP3.11
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 53.11
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

alumane;(Z)-4-hydroxypent-3-en-2-one;manganese
CID 173263428
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
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
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
4-hydroxypent-3-en-2-one;titanium
CID 162678859
CID 10892468
CID 10892468
CID 6826582
CID 6826582
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710

Frequently Asked Questions

What is the IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese?
The IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese (CID 71311349) is bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese.
What is the SMILES notation for bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese?
The canonical SMILES for bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.[Mn].
What is the InChIKey of bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese?
The InChIKey is RDMHXWZYVFGYSF-RKFKAVRRSA-N. The full InChI is InChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b4-3+;2*4-3-;.
What are the key properties of bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese?
bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese has a molecular weight of 355.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese is sourced from PubChem (CID 71311349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).