(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol

C17H26N2O3Si — CID 67131095

IUPAC(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol
SMILESCOc1cnc2cccc([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C17H26N2O3Si/c1-17(2,3)23(5,6)22-11-14(20)12-8-7-9-13-16(12)19-15(21-4)10-18-13/h7-10,14,20H,11H2,1-6H3/t14-/m0/s1
InChIKeyDGFSRHWHYAIGPQ-AWEZNQCLSA-N
MW334.49 g/mol
LogP3.69
Rot. Bonds5

About (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol (PubChem CID 67131095) has the molecular formula C17H26N2O3Si and a molecular weight of 334.49 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol
PubChem CID67131095
Molecular FormulaC17H26N2O3Si
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol
SMILESCOc1cnc2cccc([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C17H26N2O3Si/c1-17(2,3)23(5,6)22-11-14(20)12-8-7-9-13-16(12)19-15(21-4)10-18-13/h7-10,14,20H,11H2,1-6H3/t14-/m0/s1
InChIKeyDGFSRHWHYAIGPQ-AWEZNQCLSA-N
XLogP3.69
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]cyclohexyl]-2-(3-methoxyquinoxalin-5-yl)ethane-1,2-diol
CID 23654237
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
CID 67131092
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol
CID 67131248
(1R)-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol
CID 67134649
(1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol
CID 67350581
(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
CID 67432163
(1R,2R)-1-[4-[3-(2,5-difluorophenyl)prop-2-enylamino]cyclohexyl]-2-(3-methoxyquinoxalin-5-yl)ethane-1,2-diol
CID 68619781
(2R)-3-(6-fluoro-3-methoxyquinoxalin-5-yl)propane-1,2-diol
CID 68958742
(2S)-3-(6-fluoro-3-methoxyquinoxalin-5-yl)propane-1,2-diol
CID 68958745
1-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]cyclohexyl]-2-(3-methoxyquinoxalin-5-yl)ethane-1,2-diol
CID 69192558
1-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]cyclohexyl]-1-(3-methoxyquinoxalin-5-yl)ethane-1,2-diol
CID 69192560
1-[4-[3-(2,5-Difluorophenyl)prop-2-enylamino]cyclohexyl]-2-(3-methoxyquinoxalin-5-yl)ethane-1,2-diol
CID 69192561

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol?
The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol (CID 67131095) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol is COc1cnc2cccc([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-(3-methoxyquinoxalin-5-yl)ethanol?
The InChIKey is DGFSRHWHYAIGPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3Si/c1-17(2,3)23(5,6)22-11-14(20)12-8-7-9-13-16(12)19-15(21-4)10-18-13/h7-10,14,20H,11H2,1-6H3/t14-/m0/s1.
What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol?
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol has a molecular weight of 334.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol is sourced from PubChem (CID 67131095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).