1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt

C11H18CoOSi2 — CID 158043638

IUPAC1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt
SMILESC[Si](C)(C)C#CC(=O)C#C[Si](C)(C)C.[Co]
InChIInChI=1S/C11H18OSi2.Co/c1-13(2,3)9-7-11(12)8-10-14(4,5)6;/h1-6H3;
InChIKeyFIQOXULBXDURIH-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.31
Rot. Bonds

About 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt

1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt (PubChem CID 158043638) has the molecular formula C11H18CoOSi2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt.

Molecular Properties

Compound Name1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt
PubChem CID158043638
Molecular FormulaC11H18CoOSi2
Molecular Weight281.37 g/mol
Exact Mass281.02
IUPAC Name1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt
SMILESC[Si](C)(C)C#CC(=O)C#C[Si](C)(C)C.[Co]
InChIInChI=1S/C11H18OSi2.Co/c1-13(2,3)9-7-11(12)8-10-14(4,5)6;/h1-6H3;
InChIKeyFIQOXULBXDURIH-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_yne_A(1)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt?
The IUPAC name of 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt (CID 158043638) is 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt.
What is the SMILES notation for 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt?
The canonical SMILES for 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt is C[Si](C)(C)C#CC(=O)C#C[Si](C)(C)C.[Co].
What is the InChIKey of 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt?
The InChIKey is FIQOXULBXDURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSi2.Co/c1-13(2,3)9-7-11(12)8-10-14(4,5)6;/h1-6H3;.
What are the key properties of 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt?
1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt has a molecular weight of 281.37 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt is sourced from PubChem (CID 158043638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).