4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate

C19H33NO3Si — CID 100987019

IUPAC4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate
SMILESCC(CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)c1ccccn1
InChIInChI=1S/C19H33NO3Si/c1-14(2)24(15(3)4,16(5)6)22-13-11-17(7)23-19(21)18-10-8-9-12-20-18/h8-10,12,14-17H,11,13H2,1-7H3
InChIKeyJQTREBMFNNHZSX-UHFFFAOYSA-N
MW351.56 g/mol
LogP5.21
Rot. Bonds9

About 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate

4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate (PubChem CID 100987019) has the molecular formula C19H33NO3Si and a molecular weight of 351.56 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate
PubChem CID100987019
Molecular FormulaC19H33NO3Si
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC Name4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate
SMILESCC(CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)c1ccccn1
InChIInChI=1S/C19H33NO3Si/c1-14(2)24(15(3)4,16(5)6)22-13-11-17(7)23-19(21)18-10-8-9-12-20-18/h8-10,12,14-17H,11,13H2,1-7H3
InChIKeyJQTREBMFNNHZSX-UHFFFAOYSA-N
XLogP5.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.56
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-aminoethyl pyridine-2-carboxylate
CID 141264689
1-aminobutyl pyridine-2-carboxylate
CID 174954272
(2-methyl-1-phenylpropyl) pyridine-2-carboxylate
CID 100987020
2-methylpentyl pyridine-2-carboxylate
CID 150671770
3-dimethoxysilylbutyl pyridine-2-carboxylate
CID 154185304
ethyl pyridine-2-carboxylate
CID 17307
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7776044
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477427

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate?
The IUPAC name of 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate (CID 100987019) is 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate?
The canonical SMILES for 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate is CC(CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)c1ccccn1.
What is the InChIKey of 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate?
The InChIKey is JQTREBMFNNHZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3Si/c1-14(2)24(15(3)4,16(5)6)22-13-11-17(7)23-19(21)18-10-8-9-12-20-18/h8-10,12,14-17H,11,13H2,1-7H3.
What are the key properties of 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate?
4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate has a molecular weight of 351.56 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate is sourced from PubChem (CID 100987019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).