1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one

C11H22OSi2 — CID 166438503

IUPAC1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one
SMILESCCC(=O)[Si](C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi2/c1-7-11(12)14(5,6)10-8-9-13(2,3)4/h7,10H2,1-6H3
InChIKeyHZCVGVBIUCDHBU-UHFFFAOYSA-N
MW226.47 g/mol
LogP3.09
Rot. Bonds3

About 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one

1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one (PubChem CID 166438503) has the molecular formula C11H22OSi2 and a molecular weight of 226.47 g/mol. Its IUPAC name is 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one.

Molecular Properties

Compound Name1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one
PubChem CID166438503
Molecular FormulaC11H22OSi2
Molecular Weight226.47 g/mol
Exact Mass226.12
IUPAC Name1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one
SMILESCCC(=O)[Si](C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi2/c1-7-11(12)14(5,6)10-8-9-13(2,3)4/h7,10H2,1-6H3
InChIKeyHZCVGVBIUCDHBU-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.47
LogP ≤ 53.09
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-[tert-Butyl(dimethyl)silyl]but-2-yn-1-one
CID 12929564
1,3-Bis(trimethylsilyl)prop-2-yn-1-one
CID 3339427
1-Trimethylsilylhept-2-yn-1-one
CID 10866979
1-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-one
CID 12929563
1-Tri(propan-2-yl)silylpropan-1-one
CID 3781751
Triethyl(trimethylsilylpropyn-oyl)germane
CID 13284838
1,6-Bis(trimethylsilyl)hex-5-yn-1-one
CID 101375060
1-(Triisopropylsilyl)pent-1-yn-3-one
CID 135086221
1-Triethylsilylpropan-1-one
CID 12529246
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

Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one?
The IUPAC name of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one (CID 166438503) is 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one.
What is the SMILES notation for 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one?
The canonical SMILES for 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one is CCC(=O)[Si](C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one?
The InChIKey is HZCVGVBIUCDHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi2/c1-7-11(12)14(5,6)10-8-9-13(2,3)4/h7,10H2,1-6H3.
What are the key properties of 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one?
1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one has a molecular weight of 226.47 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one is sourced from PubChem (CID 166438503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).