methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate

C16H27NO3Si — CID 91756282

IUPACmethyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-14(17-12-13)15(18)19-4/h9-10,12H,7-8,11H2,1-6H3
InChIKeyWDWXBZZCNNXMSI-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.82
Rot. Bonds6

About methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate

methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate (PubChem CID 91756282) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
PubChem CID91756282
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Namemethyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-14(17-12-13)15(18)19-4/h9-10,12H,7-8,11H2,1-6H3
InChIKeyWDWXBZZCNNXMSI-UHFFFAOYSA-N
XLogP3.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
CID 175965094
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
CID 139036162
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2-carbaldehyde
CID 142526581
methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate
CID 166457077
1-O-tert-butyl 5-O-methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 68506146
methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate
CID 176747637
2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]acetic acid;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol
CID 68632649
methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate (CID 91756282) is methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate is COC(=O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)cn1.
What is the InChIKey of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate?
The InChIKey is WDWXBZZCNNXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-14(17-12-13)15(18)19-4/h9-10,12H,7-8,11H2,1-6H3.
What are the key properties of methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate?
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate has a molecular weight of 309.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate is sourced from PubChem (CID 91756282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).