2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one

C13H32O4Si4 — CID 22005451

IUPAC2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si4/c1-12(2)13(14)21(15-18(3,4)5,16-19(6,7)8)17-20(9,10)11/h1H2,2-11H3
InChIKeyNDOJIMCQVHMIAK-UHFFFAOYSA-N
MW364.74 g/mol
LogP4.16
Rot. Bonds8

About 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one

2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one (PubChem CID 22005451) has the molecular formula C13H32O4Si4 and a molecular weight of 364.74 g/mol. Its IUPAC name is 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one
PubChem CID22005451
Molecular FormulaC13H32O4Si4
Molecular Weight364.74 g/mol
Exact Mass364.14
IUPAC Name2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si4/c1-12(2)13(14)21(15-18(3,4)5,16-19(6,7)8)17-20(9,10)11/h1H2,2-11H3
InChIKeyNDOJIMCQVHMIAK-UHFFFAOYSA-N
XLogP4.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one (CID 22005451) is 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one is C=C(C)C(=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one?
The InChIKey is NDOJIMCQVHMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O4Si4/c1-12(2)13(14)21(15-18(3,4)5,16-19(6,7)8)17-20(9,10)11/h1H2,2-11H3.
What are the key properties of 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one?
2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one has a molecular weight of 364.74 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-tris(trimethylsilyloxy)silylprop-2-en-1-one is sourced from PubChem (CID 22005451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).