(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol

C18H27NO3Si — CID 67130939

IUPAC(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol
SMILESCOc1ccc2cccc([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C18H27NO3Si/c1-18(2,3)23(5,6)22-12-15(20)14-9-7-8-13-10-11-16(21-4)19-17(13)14/h7-11,15,20H,12H2,1-6H3/t15-/m0/s1
InChIKeyDRPSXCANKBQKAO-HNNXBMFYSA-N
MW333.50 g/mol
LogP4.30
Rot. Bonds5

About (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol (PubChem CID 67130939) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol
PubChem CID67130939
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol
SMILESCOc1ccc2cccc([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C18H27NO3Si/c1-18(2,3)23(5,6)22-12-15(20)14-9-7-8-13-10-11-16(21-4)19-17(13)14/h7-11,15,20H,12H2,1-6H3/t15-/m0/s1
InChIKeyDRPSXCANKBQKAO-HNNXBMFYSA-N
XLogP4.30
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol?
The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol (CID 67130939) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol is COc1ccc2cccc([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1.
What is the InChIKey of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol?
The InChIKey is DRPSXCANKBQKAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-18(2,3)23(5,6)22-12-15(20)14-9-7-8-13-10-11-16(21-4)19-17(13)14/h7-11,15,20H,12H2,1-6H3/t15-/m0/s1.
What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol?
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol has a molecular weight of 333.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyquinolin-8-yl)ethanol is sourced from PubChem (CID 67130939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).