3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid

C11H21NO3Si — CID 141406629

IUPAC3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CC=C1O[Si](C)(C)C
InChIInChI=1S/C11H21NO3Si/c1-11(2)8-12(10(13)14)7-6-9(11)15-16(3,4)5/h6H,7-8H2,1-5H3,(H,13,14)
InChIKeyAXAIXDHRQDZUJL-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.74
Rot. Bonds2

About 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid

3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid (PubChem CID 141406629) has the molecular formula C11H21NO3Si and a molecular weight of 243.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid
PubChem CID141406629
Molecular FormulaC11H21NO3Si
Molecular Weight243.38 g/mol
Exact Mass243.13
IUPAC Name3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CC=C1O[Si](C)(C)C
InChIInChI=1S/C11H21NO3Si/c1-11(2)8-12(10(13)14)7-6-9(11)15-16(3,4)5/h6H,7-8H2,1-5H3,(H,13,14)
InChIKeyAXAIXDHRQDZUJL-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
The IUPAC name of 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid (CID 141406629) is 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid is CC1(C)CN(C(=O)O)CC=C1O[Si](C)(C)C.
What is the InChIKey of 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
The InChIKey is AXAIXDHRQDZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3Si/c1-11(2)8-12(10(13)14)7-6-9(11)15-16(3,4)5/h6H,7-8H2,1-5H3,(H,13,14).
What are the key properties of 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid has a molecular weight of 243.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-trimethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 141406629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).