(E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one

C27H30O2Si — CID 132535500

IUPAC(E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one
SMILESC/C=C(\C)[C@](CC)(O[Si](C)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C27H30O2Si/c1-5-22(3)27(6-2,26(28)23-16-10-7-11-17-23)29-30(4,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h5,7-21H,6H2,1-4H3/b22-5+/t27-/m0/s1
InChIKeyPACUVTUUNHVULC-TZYUGAOFSA-N
MW414.62 g/mol
LogP5.39
Rot. Bonds8

About (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one

(E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one (PubChem CID 132535500) has the molecular formula C27H30O2Si and a molecular weight of 414.62 g/mol. Its IUPAC name is (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one.

Molecular Properties

Compound Name(E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one
PubChem CID132535500
Molecular FormulaC27H30O2Si
Molecular Weight414.62 g/mol
Exact Mass414.20
IUPAC Name(E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one
SMILESC/C=C(\C)[C@](CC)(O[Si](C)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C27H30O2Si/c1-5-22(3)27(6-2,26(28)23-16-10-7-11-17-23)29-30(4,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h5,7-21H,6H2,1-4H3/b22-5+/t27-/m0/s1
InChIKeyPACUVTUUNHVULC-TZYUGAOFSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[dimethyl(phenyl)silyl]oxy-2-methyl-1-phenylpropan-1-one
CID 22163374
(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol
CID 154723365
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-ethyl-2-hydroxy-1-phenylbutane-1,3-dione
CID 174851093
2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid
CID 22949908
3-phenylhex-3-en-2-one
CID 130637770
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
(5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate;butan-2-one
CID 163527155
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
4-[methyl(diphenyl)silyl]oxyheptan-4-ylphosphane
CID 90956910

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one?
The IUPAC name of (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one (CID 132535500) is (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one.
What is the SMILES notation for (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one?
The canonical SMILES for (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one is C/C=C(\C)[C@](CC)(O[Si](C)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one?
The InChIKey is PACUVTUUNHVULC-TZYUGAOFSA-N. The full InChI is InChI=1S/C27H30O2Si/c1-5-22(3)27(6-2,26(28)23-16-10-7-11-17-23)29-30(4,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h5,7-21H,6H2,1-4H3/b22-5+/t27-/m0/s1.
What are the key properties of (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one?
(E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one has a molecular weight of 414.62 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one is sourced from PubChem (CID 132535500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).