ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate

C22H36O4Si — CID 102079011

IUPACethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OCC)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H36O4Si/c1-9-25-21(23)22(24,20-13-11-10-12-14-20)15-19(8)26-27(16(2)3,17(4)5)18(6)7/h10-14,16-18,24H,8-9,15H2,1-7H3/t22-/m0/s1
InChIKeyYVTFPSYSVQLKRW-QFIPXVFZSA-N
MW392.61 g/mol
LogP5.53
Rot. Bonds10

About ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate

ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate (PubChem CID 102079011) has the molecular formula C22H36O4Si and a molecular weight of 392.61 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate
PubChem CID102079011
Molecular FormulaC22H36O4Si
Molecular Weight392.61 g/mol
Exact Mass392.24
IUPAC Nameethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OCC)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H36O4Si/c1-9-25-21(23)22(24,20-13-11-10-12-14-20)15-19(8)26-27(16(2)3,17(4)5)18(6)7/h10-14,16-18,24H,8-9,15H2,1-7H3/t22-/m0/s1
InChIKeyYVTFPSYSVQLKRW-QFIPXVFZSA-N
XLogP5.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.61
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl diphenylglycolate
CID 96261
Methyl 2-hydroxy-2-phenylpropanoate
CID 578110
2-Hydroxy-3-methoxy-2-phenylpropanoic acid
CID 15078575
Ethyl 2-hydroxy-2-phenylbutanoate
CID 11160080
2-Hydroxy-2-phenylundecanoic acid
CID 11242917
Acetic acid, 2-(o-tolyl)-2-(triethylsiloxy)-, ethyl ester
CID 43989
Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester
CID 55437
Acetic acid, 2-(o-tolyl)-2-(triisobutylsiloxy)-, ethyl ester
CID 55441
2-(2-Ethoxyethoxy)ethyl hydroxy(phenyl)acetate
CID 3050353
Ibuverine
CID 163313
Ethyl 2-hydroxy-2-phenylnonanoate
CID 11265918
Octyl hydroxyphenylpropionate
CID 101372901

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate?
The IUPAC name of ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate (CID 102079011) is ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate.
What is the SMILES notation for ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate?
The canonical SMILES for ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate is C=C(C[C@@](O)(C(=O)OCC)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate?
The InChIKey is YVTFPSYSVQLKRW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H36O4Si/c1-9-25-21(23)22(24,20-13-11-10-12-14-20)15-19(8)26-27(16(2)3,17(4)5)18(6)7/h10-14,16-18,24H,8-9,15H2,1-7H3/t22-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate?
ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate has a molecular weight of 392.61 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-hydroxy-2-phenyl-4-tri(propan-2-yl)silyloxypent-4-enoate is sourced from PubChem (CID 102079011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).