ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate

C20H32O4Si — CID 11703319

IUPACethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C20H32O4Si/c1-8-23-19(21)11-9-10-18(24-25(6,7)20(2,3)4)16-12-14-17(22-5)15-13-16/h9,11-15,18H,8,10H2,1-7H3/b11-9+/t18-/m0/s1
InChIKeyAZWPOHBKOOKQMA-CKDFRHGISA-N
MW364.56 g/mol
LogP5.27
Rot. Bonds8

About ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate

ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate (PubChem CID 11703319) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
PubChem CID11703319
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Nameethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C20H32O4Si/c1-8-23-19(21)11-9-10-18(24-25(6,7)20(2,3)4)16-12-14-17(22-5)15-13-16/h9,11-15,18H,8,10H2,1-7H3/b11-9+/t18-/m0/s1
InChIKeyAZWPOHBKOOKQMA-CKDFRHGISA-N
XLogP5.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-dimethylphenyl)pent-2-enoate
CID 58567257
ethyl 3-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)ethyl]amino]-1H-pyrrole-2-carboxylate
CID 67068499
[(E,2R)-6-ethoxy-6-oxohex-4-en-2-yl] (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]oct-2-enoate
CID 24756277
(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one
CID 101376484
ethyl (Z,5R,7R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-7,8-bis(methoxymethoxy)-9-[(4-methoxyphenyl)methoxy]non-2-enoate
CID 45101568
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
CID 134835436
ethyl (E,4R,18R)-18-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]nonadec-2-enoate
CID 102142229
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
CID 11631217
ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate
CID 68621070
ethyl 4-(4-methoxyphenoxy)but-2-enoate
CID 71364668
ethyl (E,5R)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-6,6-dimethylhept-2-enoate
CID 134944528
methyl (E)-8-[tert-butyl(dimethyl)silyl]oxy-8-naphthalen-2-yloct-2-enoate
CID 11090934

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate?
The IUPAC name of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate (CID 11703319) is ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate.
What is the SMILES notation for ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate?
The canonical SMILES for ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate is CCOC(=O)/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate?
The InChIKey is AZWPOHBKOOKQMA-CKDFRHGISA-N. The full InChI is InChI=1S/C20H32O4Si/c1-8-23-19(21)11-9-10-18(24-25(6,7)20(2,3)4)16-12-14-17(22-5)15-13-16/h9,11-15,18H,8,10H2,1-7H3/b11-9+/t18-/m0/s1.
What are the key properties of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate?
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate has a molecular weight of 364.56 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate is sourced from PubChem (CID 11703319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).