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'}

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

Fusaric Acid
CID 3442
Dipropyl isocinchomeronate
CID 8693
Ethyl 2-pyridinecarboxylate
CID 17307
2-Carbomethoxypyridine
CID 75569
Methyl 3-isoquinolinecarboxylate
CID 725374
Dimethyl 2,5-pyridine dicarboxylate
CID 234911
2,3-Dimethyl 2,3-pyridinedicarboxylate
CID 69058
Diethyl 2,4-pyridinedicarboxylate
CID 170509
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Dimethyl pyridine-2,4-dicarboxylate
CID 254545
[1-Oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] pyridine-2-carboxylate
CID 24686057
Butyl pyridine-2-carboxylate
CID 79285

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).