methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate

C19H31NO4Si — CID 102271787

IUPACmethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate
SMILESC=CCc1c(CCCO[Si](C)(C)C(C)(C)C)c(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C19H31NO4Si/c1-8-10-15-14(16(18(22)23-5)13-20-17(15)21)11-9-12-24-25(6,7)19(2,3)4/h8,13H,1,9-12H2,2-7H3,(H,20,21)
InChIKeyWPYBRXJSVQKERS-UHFFFAOYSA-N
MW365.55 g/mol
LogP3.84
Rot. Bonds8

About methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate

methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate (PubChem CID 102271787) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate
PubChem CID102271787
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate
SMILESC=CCc1c(CCCO[Si](C)(C)C(C)(C)C)c(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C19H31NO4Si/c1-8-10-15-14(16(18(22)23-5)13-20-17(15)21)11-9-12-24-25(6,7)19(2,3)4/h8,13H,1,9-12H2,2-7H3,(H,20,21)
InChIKeyWPYBRXJSVQKERS-UHFFFAOYSA-N
XLogP3.84
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate 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

methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
CID 11001374
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate
CID 101254875
methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate
CID 177149312
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
CID 139036162
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol
CID 91459438
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 15441123
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol
CID 101261617
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid
CID 18629051
methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate
CID 135022680
[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate
CID 100970635

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate (CID 102271787) is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate is C=CCc1c(CCCO[Si](C)(C)C(C)(C)C)c(C(=O)OC)c[nH]c1=O.
What is the InChIKey of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate?
The InChIKey is WPYBRXJSVQKERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-8-10-15-14(16(18(22)23-5)13-20-17(15)21)11-9-12-24-25(6,7)19(2,3)4/h8,13H,1,9-12H2,2-7H3,(H,20,21).
What are the key properties of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate?
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate has a molecular weight of 365.55 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 102271787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).