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'}

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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).