[(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol

C16H26ClNO2Si — CID 141254217

IUPAC[(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)Cc2cc(Cl)cnc21
InChIInChI=1S/C16H26ClNO2Si/c1-16(2,3)21(4,5)20-14-7-11(10-19)6-12-8-13(17)9-18-15(12)14/h8-9,11,14,19H,6-7,10H2,1-5H3/t11-,14+/m0/s1
InChIKeyIEADWYMQDAEJIS-SMDDNHRTSA-N
MW327.93 g/mol
LogP4.35
Rot. Bonds3

About [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol

[(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol (PubChem CID 141254217) has the molecular formula C16H26ClNO2Si and a molecular weight of 327.93 g/mol. Its IUPAC name is [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol.

Molecular Properties

Compound Name[(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol
PubChem CID141254217
Molecular FormulaC16H26ClNO2Si
Molecular Weight327.93 g/mol
Exact Mass327.14
IUPAC Name[(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)Cc2cc(Cl)cnc21
InChIInChI=1S/C16H26ClNO2Si/c1-16(2,3)21(4,5)20-14-7-11(10-19)6-12-8-13(17)9-18-15(12)14/h8-9,11,14,19H,6-7,10H2,1-5H3/t11-,14+/m0/s1
InChIKeyIEADWYMQDAEJIS-SMDDNHRTSA-N
XLogP4.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol with MolForge

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Related Compounds

8-Quinolinol, 4-chloro-5,6,7,8-tetrahydro-
CID 74892841
[(6R,8S)-8-triethylsilyloxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol
CID 42611571
[(7R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol
CID 68425208
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 134856695
[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butoxy]-triethylsilane
CID 159482934
(6R,8S)-3-chloro-6-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 11326191
(8-Triethylsilyloxy-5,6,7,8-tetrahydroquinolin-6-yl)methanol
CID 23157012
[9-[tert-butyl(dimethyl)silyl]oxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methanol
CID 23157023
8-Triethylsilyloxy-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
CID 23157139
2-[3-Chloro-5-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)-2-pyridinyl]-2-propanol
CID 58001774
[(6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-6-yl]methanol
CID 58946064
4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloro-3-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 68055295

Frequently Asked Questions

What is the IUPAC name of [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
The IUPAC name of [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol (CID 141254217) is [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol.
What is the SMILES notation for [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
The canonical SMILES for [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)Cc2cc(Cl)cnc21.
What is the InChIKey of [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
The InChIKey is IEADWYMQDAEJIS-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H26ClNO2Si/c1-16(2,3)21(4,5)20-14-7-11(10-19)6-12-8-13(17)9-18-15(12)14/h8-9,11,14,19H,6-7,10H2,1-5H3/t11-,14+/m0/s1.
What are the key properties of [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol?
[(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol has a molecular weight of 327.93 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol is sourced from PubChem (CID 141254217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).