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

C11H18OSi2 — CID 10857069

IUPAC1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one
SMILESC[Si](C)(C)C#CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C11H18OSi2/c1-13(2,3)9-7-11(12)8-10-14(4,5)6/h1-6H3
InChIKeyPKWQXPKFOHOUGK-UHFFFAOYSA-N
MW222.44 g/mol
LogP2.32
Rot. Bonds

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

1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one (PubChem CID 10857069) has the molecular formula C11H18OSi2 and a molecular weight of 222.44 g/mol. Its IUPAC name is 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one.

Molecular Properties

Compound Name1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one
PubChem CID10857069
Molecular FormulaC11H18OSi2
Molecular Weight222.44 g/mol
Exact Mass222.09
IUPAC Name1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one
SMILESC[Si](C)(C)C#CC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C11H18OSi2/c1-13(2,3)9-7-11(12)8-10-14(4,5)6/h1-6H3
InChIKeyPKWQXPKFOHOUGK-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.44
LogP ≤ 52.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one?
The IUPAC name of 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one (CID 10857069) is 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one.
What is the SMILES notation for 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one?
The canonical SMILES for 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one is C[Si](C)(C)C#CC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one?
The InChIKey is PKWQXPKFOHOUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSi2/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?
1,5-bis(trimethylsilyl)penta-1,4-diyn-3-one has a molecular weight of 222.44 g/mol, XLogP of 2.32, 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 is sourced from PubChem (CID 10857069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).