cobalt;tris((E)-4-hydroxypent-3-en-2-one)

C15H24CoO6 — CID 11100361

IUPACcobalt;tris((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.[Co]
InChIInChI=1S/3C5H8O2.Co/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3+;
InChIKeyFJDJVBXSSLDNJB-MUCWUPSWSA-N
MW359.28 g/mol
LogP3.11
Rot. Bonds3

About cobalt;tris((E)-4-hydroxypent-3-en-2-one)

cobalt;tris((E)-4-hydroxypent-3-en-2-one) (PubChem CID 11100361) has the molecular formula C15H24CoO6 and a molecular weight of 359.28 g/mol. Its IUPAC name is cobalt;tris((E)-4-hydroxypent-3-en-2-one).

Molecular Properties

Compound Namecobalt;tris((E)-4-hydroxypent-3-en-2-one)
PubChem CID11100361
Molecular FormulaC15H24CoO6
Molecular Weight359.28 g/mol
Exact Mass359.09
IUPAC Namecobalt;tris((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.[Co]
InChIInChI=1S/3C5H8O2.Co/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3+;
InChIKeyFJDJVBXSSLDNJB-MUCWUPSWSA-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 ≤ 500359.28
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'}

Analyze cobalt;tris((E)-4-hydroxypent-3-en-2-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
tetrakis(4-hydroxypent-3-en-2-one);thorium
CID 50912505

Frequently Asked Questions

What is the IUPAC name of cobalt;tris((E)-4-hydroxypent-3-en-2-one)?
The IUPAC name of cobalt;tris((E)-4-hydroxypent-3-en-2-one) (CID 11100361) is cobalt;tris((E)-4-hydroxypent-3-en-2-one).
What is the SMILES notation for cobalt;tris((E)-4-hydroxypent-3-en-2-one)?
The canonical SMILES for cobalt;tris((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.[Co].
What is the InChIKey of cobalt;tris((E)-4-hydroxypent-3-en-2-one)?
The InChIKey is FJDJVBXSSLDNJB-MUCWUPSWSA-N. The full InChI is InChI=1S/3C5H8O2.Co/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3+;.
What are the key properties of cobalt;tris((E)-4-hydroxypent-3-en-2-one)?
cobalt;tris((E)-4-hydroxypent-3-en-2-one) has a molecular weight of 359.28 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 cobalt;tris((E)-4-hydroxypent-3-en-2-one) is sourced from PubChem (CID 11100361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).