1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one

C13H22OSi2 — CID 87982054

IUPAC1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one
SMILESCC[Si](C)(C)C#CC(=O)C#C[Si](C)(C)CC
InChIInChI=1S/C13H22OSi2/c1-7-15(3,4)11-9-13(14)10-12-16(5,6)8-2/h7-8H2,1-6H3
InChIKeyNCNJPBXABDZZGL-UHFFFAOYSA-N
MW250.49 g/mol
LogP3.10
Rot. Bonds2

About 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one

1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one (PubChem CID 87982054) has the molecular formula C13H22OSi2 and a molecular weight of 250.49 g/mol. Its IUPAC name is 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one.

Molecular Properties

Compound Name1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one
PubChem CID87982054
Molecular FormulaC13H22OSi2
Molecular Weight250.49 g/mol
Exact Mass250.12
IUPAC Name1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one
SMILESCC[Si](C)(C)C#CC(=O)C#C[Si](C)(C)CC
InChIInChI=1S/C13H22OSi2/c1-7-15(3,4)11-9-13(14)10-12-16(5,6)8-2/h7-8H2,1-6H3
InChIKeyNCNJPBXABDZZGL-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.49
LogP ≤ 53.10
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[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one?
The IUPAC name of 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one (CID 87982054) is 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one.
What is the SMILES notation for 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one?
The canonical SMILES for 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one is CC[Si](C)(C)C#CC(=O)C#C[Si](C)(C)CC.
What is the InChIKey of 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one?
The InChIKey is NCNJPBXABDZZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi2/c1-7-15(3,4)11-9-13(14)10-12-16(5,6)8-2/h7-8H2,1-6H3.
What are the key properties of 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one?
1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one has a molecular weight of 250.49 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one is sourced from PubChem (CID 87982054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).