2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one

C16H38O4Si4 — CID 21195056

IUPAC2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one
SMILESC=C(C)C(=O)C(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O4Si4/c1-13-15(16(17)14(2)3)24(18-21(4,5)6,19-22(7,8)9)20-23(10,11)12/h15H,2,13H2,1,3-12H3
InChIKeyFKIDIMUIVSLEDZ-UHFFFAOYSA-N
MW406.82 g/mol
LogP5.41
Rot. Bonds10

About 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one

2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one (PubChem CID 21195056) has the molecular formula C16H38O4Si4 and a molecular weight of 406.82 g/mol. Its IUPAC name is 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one
PubChem CID21195056
Molecular FormulaC16H38O4Si4
Molecular Weight406.82 g/mol
Exact Mass406.18
IUPAC Name2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one
SMILESC=C(C)C(=O)C(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O4Si4/c1-13-15(16(17)14(2)3)24(18-21(4,5)6,19-22(7,8)9)20-23(10,11)12/h15H,2,13H2,1,3-12H3
InChIKeyFKIDIMUIVSLEDZ-UHFFFAOYSA-N
XLogP5.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.82
LogP ≤ 55.41
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-4-tris(trimethylsilyloxy)silylhex-1-en-3-one?
The IUPAC name of 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one (CID 21195056) is 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one.
What is the SMILES notation for 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one?
The canonical SMILES for 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one is C=C(C)C(=O)C(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one?
The InChIKey is FKIDIMUIVSLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O4Si4/c1-13-15(16(17)14(2)3)24(18-21(4,5)6,19-22(7,8)9)20-23(10,11)12/h15H,2,13H2,1,3-12H3.
What are the key properties of 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one?
2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one has a molecular weight of 406.82 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one is sourced from PubChem (CID 21195056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).