2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one

C11H20OSi2 — CID 15273820

IUPAC2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one
SMILESC=C=C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H20OSi2/c1-8-10(13(2,3)4)11(9-12)14(5,6)7/h1H2,2-7H3
InChIKeyAJXMFCWVGPOVSI-UHFFFAOYSA-N
MW224.45 g/mol
LogP3.21
Rot. Bonds3

About 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one

2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one (PubChem CID 15273820) has the molecular formula C11H20OSi2 and a molecular weight of 224.45 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one.

Molecular Properties

Compound Name2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one
PubChem CID15273820
Molecular FormulaC11H20OSi2
Molecular Weight224.45 g/mol
Exact Mass224.11
IUPAC Name2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one
SMILESC=C=C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H20OSi2/c1-8-10(13(2,3)4)11(9-12)14(5,6)7/h1H2,2-7H3
InChIKeyAJXMFCWVGPOVSI-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Ethenone, [tris(1-methylethyl)silyl]-
CID 5325347
1,3-Butadiene-1,4-dione, 2,3-bis(trimethylsilyl)-
CID 10944161
(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one
CID 10799292
(t-Butyldimethylsilyl)trimethylsilylketene
CID 11075174
(Triisopropylsilyl)trimethylsilylketene
CID 15496182
Ethenone, [(1,1-dimethylethyl)dimethylsilyl]-
CID 11768821
2,3-Bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione
CID 14979597
2,2-Bis[tert-butyl(dimethyl)silyl]ethenone
CID 10635781
2-[Tert-butyl(dimethyl)silyl]-2-triethylsilylethenone
CID 10802023
2-Tri(propan-2-yl)silylprop-1-en-1-one
CID 14451165
[Tris(trimethylsilyl)]silylketene
CID 15496178
2-[2-[Dimethyl(2-oxoethenyl)silyl]ethyl-dimethylsilyl]ethenone
CID 85705147

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one?
The IUPAC name of 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one (CID 15273820) is 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one.
What is the SMILES notation for 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one?
The canonical SMILES for 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one is C=C=C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one?
The InChIKey is AJXMFCWVGPOVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi2/c1-8-10(13(2,3)4)11(9-12)14(5,6)7/h1H2,2-7H3.
What are the key properties of 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one?
2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one has a molecular weight of 224.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyl)penta-1,3,4-trien-1-one is sourced from PubChem (CID 15273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).