ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate

C18H31NO4Si — CID 178178667

IUPACethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(CO[Si](C)(C)C(C)(C)C)cc(OC)nc1CC
InChIInChI=1S/C18H31NO4Si/c1-9-14-16(17(20)22-10-2)13(11-15(19-14)21-6)12-23-24(7,8)18(3,4)5/h11H,9-10,12H2,1-8H3
InChIKeySFLKWOPOPSRRTO-UHFFFAOYSA-N
MW353.54 g/mol
LogP4.35
Rot. Bonds7

About ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate

ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate (PubChem CID 178178667) has the molecular formula C18H31NO4Si and a molecular weight of 353.54 g/mol. Its IUPAC name is ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate
PubChem CID178178667
Molecular FormulaC18H31NO4Si
Molecular Weight353.54 g/mol
Exact Mass353.20
IUPAC Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(CO[Si](C)(C)C(C)(C)C)cc(OC)nc1CC
InChIInChI=1S/C18H31NO4Si/c1-9-14-16(17(20)22-10-2)13(11-15(19-14)21-6)12-23-24(7,8)18(3,4)5/h11H,9-10,12H2,1-8H3
InChIKeySFLKWOPOPSRRTO-UHFFFAOYSA-N
XLogP4.35
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate (CID 178178667) is ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate is CCOC(=O)c1c(CO[Si](C)(C)C(C)(C)C)cc(OC)nc1CC.
What is the InChIKey of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate?
The InChIKey is SFLKWOPOPSRRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4Si/c1-9-14-16(17(20)22-10-2)13(11-15(19-14)21-6)12-23-24(7,8)18(3,4)5/h11H,9-10,12H2,1-8H3.
What are the key properties of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate?
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate has a molecular weight of 353.54 g/mol, XLogP of 4.35, 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]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 178178667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).