[(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol

C16H27NO2Si — CID 58946064

IUPAC[(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)Cc2cccnc21
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)20(4,5)19-14-10-12(11-18)9-13-7-6-8-17-15(13)14/h6-8,12,14,18H,9-11H2,1-5H3/t12-,14-/m1/s1
InChIKeyOHUPYBNRFNPSFV-TZMCWYRMSA-N
MW293.48 g/mol
LogP3.70
Rot. Bonds3

About [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol

[(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol (PubChem CID 58946064) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol.

Molecular Properties

Compound Name[(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol
PubChem CID58946064
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name[(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)Cc2cccnc21
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)20(4,5)19-14-10-12(11-18)9-13-7-6-8-17-15(13)14/h6-8,12,14,18H,9-11H2,1-5H3/t12-,14-/m1/s1
InChIKeyOHUPYBNRFNPSFV-TZMCWYRMSA-N
XLogP3.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
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 [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
The IUPAC name of [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol (CID 58946064) is [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol.
What is the SMILES notation for [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
The canonical SMILES for [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)Cc2cccnc21.
What is the InChIKey of [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
The InChIKey is OHUPYBNRFNPSFV-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-16(2,3)20(4,5)19-14-10-12(11-18)9-13-7-6-8-17-15(13)14/h6-8,12,14,18H,9-11H2,1-5H3/t12-,14-/m1/s1.
What are the key properties of [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
[(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol has a molecular weight of 293.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol is sourced from PubChem (CID 58946064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).