(E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one

C23H38O3Si — CID 5375982

IUPAC(E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one
SMILESCCC(/C=C/C(=O)C(C)C(O)c1ccccc1)C(C)O[Si](CC)(CC)CC
InChIInChI=1S/C23H38O3Si/c1-7-20(19(6)26-27(8-2,9-3)10-4)16-17-22(24)18(5)23(25)21-14-12-11-13-15-21/h11-20,23,25H,7-10H2,1-6H3/b17-16+
InChIKeyBKSIQMCAKQLIQJ-WUKNDPDISA-N
MW390.64 g/mol
LogP5.92
Rot. Bonds12

About (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one

(E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one (PubChem CID 5375982) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one.

Molecular Properties

Compound Name(E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one
PubChem CID5375982
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Name(E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one
SMILESCCC(/C=C/C(=O)C(C)C(O)c1ccccc1)C(C)O[Si](CC)(CC)CC
InChIInChI=1S/C23H38O3Si/c1-7-20(19(6)26-27(8-2,9-3)10-4)16-17-22(24)18(5)23(25)21-14-12-11-13-15-21/h11-20,23,25H,7-10H2,1-6H3/b17-16+
InChIKeyBKSIQMCAKQLIQJ-WUKNDPDISA-N
XLogP5.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
CID 132570563
S-ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanethioate
CID 11096246
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
CID 101269774
carbon monoxide;(1S,2R,4E,6E)-1-hydroxy-2-methyl-1-phenylocta-4,6-dien-3-one;iron
CID 11291643
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
ethyl (2R,3R,4R,5S)-3,5-dihydroxy-2,4-dimethyl-5-phenylpentanoate
CID 101157464
[ethoxy(phenyl)methoxy]-triethylsilane
CID 139842953
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
3-phenylpentan-2-yl carbamate
CID 70616482
(1R,2S,4S)-1-hydroxy-4-[(R)-hydroxy(phenyl)methyl]-2-methyl-1-phenylheptan-3-one
CID 177426345

Frequently Asked Questions

What is the IUPAC name of (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one?
The IUPAC name of (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one (CID 5375982) is (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one.
What is the SMILES notation for (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one?
The canonical SMILES for (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one is CCC(/C=C/C(=O)C(C)C(O)c1ccccc1)C(C)O[Si](CC)(CC)CC.
What is the InChIKey of (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one?
The InChIKey is BKSIQMCAKQLIQJ-WUKNDPDISA-N. The full InChI is InChI=1S/C23H38O3Si/c1-7-20(19(6)26-27(8-2,9-3)10-4)16-17-22(24)18(5)23(25)21-14-12-11-13-15-21/h11-20,23,25H,7-10H2,1-6H3/b17-16+.
What are the key properties of (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one?
(E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one has a molecular weight of 390.64 g/mol, XLogP of 5.92, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one is sourced from PubChem (CID 5375982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).