6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

C13H19NO3Si — CID 167742082

IUPAC6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESC[Si](C)(C)Oc1ccc2c(c1)C(C(=O)O)CCN2
InChIInChI=1S/C13H19NO3Si/c1-18(2,3)17-9-4-5-12-11(8-9)10(13(15)16)6-7-14-12/h4-5,8,10,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyRUCRQLRLROJWRF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.88
Rot. Bonds3

About 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (PubChem CID 167742082) has the molecular formula C13H19NO3Si and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID167742082
Molecular FormulaC13H19NO3Si
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESC[Si](C)(C)Oc1ccc2c(c1)C(C(=O)O)CCN2
InChIInChI=1S/C13H19NO3Si/c1-18(2,3)17-9-4-5-12-11(8-9)10(13(15)16)6-7-14-12/h4-5,8,10,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyRUCRQLRLROJWRF-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CID 167742082) is 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is C[Si](C)(C)Oc1ccc2c(c1)C(C(=O)O)CCN2.
What is the InChIKey of 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is RUCRQLRLROJWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3Si/c1-18(2,3)17-9-4-5-12-11(8-9)10(13(15)16)6-7-14-12/h4-5,8,10,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 265.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 167742082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).