ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate

C24H33NO3Si — CID 56838749

IUPACethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(C)nc([C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C24H33NO3Si/c1-8-27-22(26)15-14-19-16-18(2)25-21(17-19)23(20-12-10-9-11-13-20)28-29(6,7)24(3,4)5/h9-17,23H,8H2,1-7H3/b15-14+/t23-/m0/s1
InChIKeyCOEMAEMKMCHSPL-NSFRLNINSA-N
MW411.62 g/mol
LogP6.08
Rot. Bonds7

About ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate

ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate (PubChem CID 56838749) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate
PubChem CID56838749
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Nameethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(C)nc([C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C24H33NO3Si/c1-8-27-22(26)15-14-19-16-18(2)25-21(17-19)23(20-12-10-9-11-13-20)28-29(6,7)24(3,4)5/h9-17,23H,8H2,1-7H3/b15-14+/t23-/m0/s1
InChIKeyCOEMAEMKMCHSPL-NSFRLNINSA-N
XLogP6.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate with MolForge

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-5-phenylpent-2-enoate
CID 102343029
ethyl (E,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-nitro-5-phenylhex-2-enoate
CID 50906502
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate
CID 153399419
ethyl (2E,4E,7R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyl-9-phenylnona-2,4-dienoate
CID 102455634
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
CID 134835436
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate (CID 56838749) is ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate is CCOC(=O)/C=C/c1cc(C)nc([C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)c1.
What is the InChIKey of ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate?
The InChIKey is COEMAEMKMCHSPL-NSFRLNINSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-8-27-22(26)15-14-19-16-18(2)25-21(17-19)23(20-12-10-9-11-13-20)28-29(6,7)24(3,4)5/h9-17,23H,8H2,1-7H3/b15-14+/t23-/m0/s1.
What are the key properties of ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate?
ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate has a molecular weight of 411.62 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate is sourced from PubChem (CID 56838749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).