methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate

C18H25NO4Si — CID 46737937

IUPACmethyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1
InChIInChI=1S/C18H25NO4Si/c1-18(2,3)24(5,6)22-12-14-10-15-16(23-14)9-13(11-19-15)7-8-17(20)21-4/h7-11H,12H2,1-6H3/b8-7+
InChIKeyYJKDRRBSPXEGHX-BQYQJAHWSA-N
MW347.49 g/mol
LogP4.54
Rot. Bonds5

About methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate

methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate (PubChem CID 46737937) has the molecular formula C18H25NO4Si and a molecular weight of 347.49 g/mol. Its IUPAC name is methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate
PubChem CID46737937
Molecular FormulaC18H25NO4Si
Molecular Weight347.49 g/mol
Exact Mass347.16
IUPAC Namemethyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1
InChIInChI=1S/C18H25NO4Si/c1-18(2,3)24(5,6)22-12-14-10-15-16(23-14)9-13(11-19-15)7-8-17(20)21-4/h7-11H,12H2,1-6H3/b8-7+
InChIKeyYJKDRRBSPXEGHX-BQYQJAHWSA-N
XLogP4.54
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.54
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'}

Analyze methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-ol
CID 46737927
tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridin-2-yl]methoxy]silane
CID 46737925
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
tert-butyl (E)-3-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)prop-2-enoate
CID 59456950
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
1-benzofuran-2-ylmethoxy-tert-butyl-dimethylsilane
CID 135029239
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyphenyl]but-3-en-2-one
CID 68803997
methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate
CID 45102648
methyl 3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 169479062
methyl 3-[6-(ethylamino)-3-pyridinyl]prop-2-enoate
CID 156788689
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
methyl (E)-3-pyrimidin-5-ylprop-2-enoate
CID 18470237

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate (CID 46737937) is methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate is COC(=O)/C=C/c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1.
What is the InChIKey of methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate?
The InChIKey is YJKDRRBSPXEGHX-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H25NO4Si/c1-18(2,3)24(5,6)22-12-14-10-15-16(23-14)9-13(11-19-15)7-8-17(20)21-4/h7-11H,12H2,1-6H3/b8-7+.
What are the key properties of methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate?
methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate has a molecular weight of 347.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]furo[3,2-b]pyridin-6-yl]prop-2-enoate is sourced from PubChem (CID 46737937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).