ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate

C28H33NO4Si — CID 68635048

IUPACethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate
SMILESCCOC(=O)C=CCOc1cccnc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H33NO4Si/c1-5-31-27(30)19-13-21-32-26-18-12-20-29-25(26)22-33-34(28(2,3)4,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-20H,5,21-22H2,1-4H3
InChIKeyJXIWMAXOLLCJFO-UHFFFAOYSA-N
MW475.66 g/mol
LogP4.66
Rot. Bonds10

About ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate

ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate (PubChem CID 68635048) has the molecular formula C28H33NO4Si and a molecular weight of 475.66 g/mol. Its IUPAC name is ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate.

Molecular Properties

Compound Nameethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate
PubChem CID68635048
Molecular FormulaC28H33NO4Si
Molecular Weight475.66 g/mol
Exact Mass475.22
IUPAC Nameethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate
SMILESCCOC(=O)C=CCOc1cccnc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H33NO4Si/c1-5-31-27(30)19-13-21-32-26-18-12-20-29-25(26)22-33-34(28(2,3)4,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-20H,5,21-22H2,1-4H3
InChIKeyJXIWMAXOLLCJFO-UHFFFAOYSA-N
XLogP4.66
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
ethyl (E)-4-[2-(tert-butyliminomethyl)phenoxy]but-2-enoate
CID 11323726
ethyl (E)-4-(2-acetylphenoxy)but-2-enoate
CID 117061834
ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
CID 140759715
ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl (E)-4-(2-formyl-3-hydroxyphenoxy)but-2-enoate
CID 135012224
ethyl (E)-3-(3-methoxy-2-pyridinyl)prop-2-enoate
CID 15110923
ethyl (2E,4E,6E,8E,11S,12S)-11-[tert-butyl(dimethyl)silyl]oxy-13-[tert-butyl(diphenyl)silyl]oxy-12-methyltrideca-2,4,6,8-tetraenoate
CID 101352563
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethoxycarbonylbenzoic acid
CID 10766489
ethyl (E)-4-[2-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]but-2-enoate
CID 70079176
ethyl (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-4-oxooct-2-enoate
CID 11080652
ethyl (E)-3-[(4R,5S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-enoate
CID 102376061

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate?
The IUPAC name of ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate (CID 68635048) is ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate.
What is the SMILES notation for ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate?
The canonical SMILES for ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate is CCOC(=O)C=CCOc1cccnc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate?
The InChIKey is JXIWMAXOLLCJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4Si/c1-5-31-27(30)19-13-21-32-26-18-12-20-29-25(26)22-33-34(28(2,3)4,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-20H,5,21-22H2,1-4H3.
What are the key properties of ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate?
ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate has a molecular weight of 475.66 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate is sourced from PubChem (CID 68635048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).