1,3-bis(trimethylsilyl)prop-2-yn-1-one

C9H18OSi2 — CID 3339427

IUPAC1,3-bis(trimethylsilyl)prop-2-yn-1-one
SMILESC[Si](C)(C)C#CC(=O)[Si](C)(C)C
InChIInChI=1S/C9H18OSi2/c1-11(2,3)8-7-9(10)12(4,5)6/h1-6H3
InChIKeyREYMYRJIMLRGCP-UHFFFAOYSA-N
MW198.41 g/mol
LogP2.31
Rot. Bonds1

About 1,3-bis(trimethylsilyl)prop-2-yn-1-one

1,3-bis(trimethylsilyl)prop-2-yn-1-one (PubChem CID 3339427) has the molecular formula C9H18OSi2 and a molecular weight of 198.41 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)prop-2-yn-1-one.

Molecular Properties

Compound Name1,3-bis(trimethylsilyl)prop-2-yn-1-one
PubChem CID3339427
Molecular FormulaC9H18OSi2
Molecular Weight198.41 g/mol
Exact Mass198.09
IUPAC Name1,3-bis(trimethylsilyl)prop-2-yn-1-one
SMILESC[Si](C)(C)C#CC(=O)[Si](C)(C)C
InChIInChI=1S/C9H18OSi2/c1-11(2,3)8-7-9(10)12(4,5)6/h1-6H3
InChIKeyREYMYRJIMLRGCP-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-one
CID 10857069
1-[tert-Butyl(dimethyl)silyl]but-2-yn-1-one
CID 12929564
Triethyl(trimethylsilylpropyn-oyl)germane
CID 13284838
1-[Dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one
CID 166438503
1-Trimethylgermyl-3-trimethylsilylprop-2-yn-1-one
CID 13076464
3-Trimethylsilyl-1-trimethylstannylprop-2-yn-1-one
CID 13076465
1-Triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one
CID 14937073
1,7-Bis(trimethylsilyl)hepta-2,5-diyn-4-one
CID 20470623
1-Triethylsilylprop-2-yn-1-one
CID 87105517
1,5-Bis[ethyl(dimethyl)silyl]penta-1,4-diyn-3-one
CID 87982054
1-Tri(propan-2-yl)silylprop-2-yn-1-one
CID 88099714
1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-one;cobalt
CID 158043638

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trimethylsilyl)prop-2-yn-1-one?
The IUPAC name of 1,3-bis(trimethylsilyl)prop-2-yn-1-one (CID 3339427) is 1,3-bis(trimethylsilyl)prop-2-yn-1-one.
What is the SMILES notation for 1,3-bis(trimethylsilyl)prop-2-yn-1-one?
The canonical SMILES for 1,3-bis(trimethylsilyl)prop-2-yn-1-one is C[Si](C)(C)C#CC(=O)[Si](C)(C)C.
What is the InChIKey of 1,3-bis(trimethylsilyl)prop-2-yn-1-one?
The InChIKey is REYMYRJIMLRGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi2/c1-11(2,3)8-7-9(10)12(4,5)6/h1-6H3.
What are the key properties of 1,3-bis(trimethylsilyl)prop-2-yn-1-one?
1,3-bis(trimethylsilyl)prop-2-yn-1-one has a molecular weight of 198.41 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyl)prop-2-yn-1-one is sourced from PubChem (CID 3339427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).