(E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one

C24H32OSi — CID 154824599

IUPAC(E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one
SMILESCCC/C(=C(/C(=O)c1ccccc1)[Si](C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H32OSi/c1-8-12-21(22-18(3)15-17(2)16-19(22)4)24(26(5,6)7)23(25)20-13-10-9-11-14-20/h9-11,13-16H,8,12H2,1-7H3/b24-21+
InChIKeyRKFPQFPZDGJHBV-DARPEHSRSA-N
MW364.61 g/mol
LogP6.93
Rot. Bonds6

About (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one

(E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one (PubChem CID 154824599) has the molecular formula C24H32OSi and a molecular weight of 364.61 g/mol. Its IUPAC name is (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one
PubChem CID154824599
Molecular FormulaC24H32OSi
Molecular Weight364.61 g/mol
Exact Mass364.22
IUPAC Name(E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one
SMILESCCC/C(=C(/C(=O)c1ccccc1)[Si](C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H32OSi/c1-8-12-21(22-18(3)15-17(2)16-19(22)4)24(26(5,6)7)23(25)20-13-10-9-11-14-20/h9-11,13-16H,8,12H2,1-7H3/b24-21+
InChIKeyRKFPQFPZDGJHBV-DARPEHSRSA-N
XLogP6.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
1-(3-methylphenyl)butan-1-one
CID 4304992
2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate
CID 90415182
3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 94278612
1,3,5-trimethyl-2-[phenyl(sulfinyl)methyl]benzene
CID 12660448
2-methyl-1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
CID 15629610
(3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 57114457

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one (CID 154824599) is (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one is CCC/C(=C(/C(=O)c1ccccc1)[Si](C)(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one?
The InChIKey is RKFPQFPZDGJHBV-DARPEHSRSA-N. The full InChI is InChI=1S/C24H32OSi/c1-8-12-21(22-18(3)15-17(2)16-19(22)4)24(26(5,6)7)23(25)20-13-10-9-11-14-20/h9-11,13-16H,8,12H2,1-7H3/b24-21+.
What are the key properties of (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one?
(E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one has a molecular weight of 364.61 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-(2,4,6-trimethylphenyl)-2-trimethylsilylhex-2-en-1-one is sourced from PubChem (CID 154824599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).