(E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one

C16H24O3Si — CID 102393907

IUPAC(E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one
SMILESC/C(=C\C(=O)CC(O)c1ccc(C)cc1)O[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-12-6-8-14(9-7-12)16(18)11-15(17)10-13(2)19-20(3,4)5/h6-10,16,18H,11H2,1-5H3/b13-10+
InChIKeyJZBDZJCLLAPAGZ-JLHYYAGUSA-N
MW292.45 g/mol
LogP3.74
Rot. Bonds6

About (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one

(E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one (PubChem CID 102393907) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one.

Molecular Properties

Compound Name(E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one
PubChem CID102393907
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name(E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one
SMILESC/C(=C\C(=O)CC(O)c1ccc(C)cc1)O[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-12-6-8-14(9-7-12)16(18)11-15(17)10-13(2)19-20(3,4)5/h6-10,16,18H,11H2,1-5H3/b13-10+
InChIKeyJZBDZJCLLAPAGZ-JLHYYAGUSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
propyl 3-hydroxy-3-(4-methylphenyl)propanoate
CID 73003884
methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate
CID 134930629
ethyl (4R)-4-hydroxy-2-methylidene-4-(4-methylphenyl)butanoate
CID 162411306
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
(E,1S)-1-hydroxy-1-(4-methoxyphenyl)oct-4-en-3-one
CID 102215273
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469

Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one?
The IUPAC name of (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one (CID 102393907) is (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one.
What is the SMILES notation for (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one?
The canonical SMILES for (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one is C/C(=C\C(=O)CC(O)c1ccc(C)cc1)O[Si](C)(C)C.
What is the InChIKey of (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one?
The InChIKey is JZBDZJCLLAPAGZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-12-6-8-14(9-7-12)16(18)11-15(17)10-13(2)19-20(3,4)5/h6-10,16,18H,11H2,1-5H3/b13-10+.
What are the key properties of (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one?
(E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one has a molecular weight of 292.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxy-1-(4-methylphenyl)-5-trimethylsilyloxyhex-4-en-3-one is sourced from PubChem (CID 102393907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).