ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate

C19H28N2O3Si — CID 134850497

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate
SMILESC=C(CC(C#N)(O[Si](C)(C)C(C)(C)C)c1cccnc1)C(=O)OCC
InChIInChI=1S/C19H28N2O3Si/c1-8-23-17(22)15(2)12-19(14-20,16-10-9-11-21-13-16)24-25(6,7)18(3,4)5/h9-11,13H,2,8,12H2,1,3-7H3
InChIKeyHJLOJVXZGDYFES-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.33
Rot. Bonds7

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate (PubChem CID 134850497) has the molecular formula C19H28N2O3Si and a molecular weight of 360.53 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate
PubChem CID134850497
Molecular FormulaC19H28N2O3Si
Molecular Weight360.53 g/mol
Exact Mass360.19
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate
SMILESC=C(CC(C#N)(O[Si](C)(C)C(C)(C)C)c1cccnc1)C(=O)OCC
InChIInChI=1S/C19H28N2O3Si/c1-8-23-17(22)15(2)12-19(14-20,16-10-9-11-21-13-16)24-25(6,7)18(3,4)5/h9-11,13H,2,8,12H2,1,3-7H3
InChIKeyHJLOJVXZGDYFES-UHFFFAOYSA-N
XLogP4.33
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.33
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

diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
ethyl 2-[[tert-butyl(dimethyl)silyl]oxy-cyano-pyridin-3-ylmethyl]-4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 91604610
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
ethyl 3-methyl-4-(4-methylphenyl)-3-pyridin-3-ylbutanoate
CID 18624181
ethyl 2-cyano-2-pyridin-4-ylpropanoate
CID 12758197
diethyl 4,4-dicyano-2,6-dimethylideneheptanedioate
CID 86168566
ethyl 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoate
CID 117048352
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
3-ethoxy-2-methylsulfanyl-3-oxo-2-pyridin-3-ylpropanoic acid
CID 70347165
ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate
CID 175234972
ethyl 2-hydroxy-3-nitro-2-pyridin-3-ylpropanoate
CID 167441467
methyl 4-cyano-4-ethoxycarbonyloxy-4-(furan-2-yl)-2-methylidenebutanoate
CID 135002798

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate (CID 134850497) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate is C=C(CC(C#N)(O[Si](C)(C)C(C)(C)C)c1cccnc1)C(=O)OCC.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate?
The InChIKey is HJLOJVXZGDYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3Si/c1-8-23-17(22)15(2)12-19(14-20,16-10-9-11-21-13-16)24-25(6,7)18(3,4)5/h9-11,13H,2,8,12H2,1,3-7H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate has a molecular weight of 360.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-methylidene-4-pyridin-3-ylbutanoate is sourced from PubChem (CID 134850497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).