(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol

C18H27FN2O4Si — CID 67131248

IUPAC(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol
SMILESCOc1nc2ccc(F)c([C@H](O)CO[Si](C)(C)C(C)(C)C)c2nc1OC
InChIInChI=1S/C18H27FN2O4Si/c1-18(2,3)26(6,7)25-10-13(22)14-11(19)8-9-12-15(14)21-17(24-5)16(20-12)23-4/h8-9,13,22H,10H2,1-7H3/t13-/m1/s1
InChIKeyYJCYLULGSUBYJZ-CYBMUJFWSA-N
MW382.51 g/mol
LogP3.84
Rot. Bonds6

About (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol

(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol (PubChem CID 67131248) has the molecular formula C18H27FN2O4Si and a molecular weight of 382.51 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol
PubChem CID67131248
Molecular FormulaC18H27FN2O4Si
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol
SMILESCOc1nc2ccc(F)c([C@H](O)CO[Si](C)(C)C(C)(C)C)c2nc1OC
InChIInChI=1S/C18H27FN2O4Si/c1-18(2,3)26(6,7)25-10-13(22)14-11(19)8-9-12-15(14)21-17(24-5)16(20-12)23-4/h8-9,13,22H,10H2,1-7H3/t13-/m1/s1
InChIKeyYJCYLULGSUBYJZ-CYBMUJFWSA-N
XLogP3.84
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol?
The IUPAC name of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol (CID 67131248) is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol.
What is the SMILES notation for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol?
The canonical SMILES for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol is COc1nc2ccc(F)c([C@H](O)CO[Si](C)(C)C(C)(C)C)c2nc1OC.
What is the InChIKey of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol?
The InChIKey is YJCYLULGSUBYJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27FN2O4Si/c1-18(2,3)26(6,7)25-10-13(22)14-11(19)8-9-12-15(14)21-17(24-5)16(20-12)23-4/h8-9,13,22H,10H2,1-7H3/t13-/m1/s1.
What are the key properties of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol?
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol has a molecular weight of 382.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethanol is sourced from PubChem (CID 67131248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).