[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol

C23H39NO2Si — CID 123221740

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
SMILESCc1c(CO)c(C2CCC2)nc2c1C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C23H39NO2Si/c1-15-17(14-25)21(16-10-9-11-16)24-18-12-23(5,6)13-19(20(15)18)26-27(7,8)22(2,3)4/h16,19,25H,9-14H2,1-8H3
InChIKeyODEQAUYBRXAXIJ-UHFFFAOYSA-N
MW389.66 g/mol
LogP6.19
Rot. Bonds4

About [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol

[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol (PubChem CID 123221740) has the molecular formula C23H39NO2Si and a molecular weight of 389.66 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol.

Molecular Properties

Compound Name[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
PubChem CID123221740
Molecular FormulaC23H39NO2Si
Molecular Weight389.66 g/mol
Exact Mass389.28
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
SMILESCc1c(CO)c(C2CCC2)nc2c1C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C23H39NO2Si/c1-15-17(14-25)21(16-10-9-11-16)24-18-12-23(5,6)13-19(20(15)18)26-27(7,8)22(2,3)4/h16,19,25H,9-14H2,1-8H3
InChIKeyODEQAUYBRXAXIJ-UHFFFAOYSA-N
XLogP6.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.66
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
CID 22481032
[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol
CID 20586691
[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-iodo-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-tert-butylphenyl)methanol
CID 66762452
(S)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,7,7-trimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinolin-3-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanol
CID 88579770
tert-butyl-[[(3R,9S)-3-(4-tert-butylphenyl)-4-cyclopentyl-1,1,7,7-tetramethyl-3,6,8,9-tetrahydrofuro[3,4-c]quinolin-9-yl]oxy]-dimethylsilane
CID 66762653
(R)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-iodo-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 66761282
tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
CID 66762178
(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-iodo-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 66761225
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate
CID 77454428
[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]methanol
CID 67355135
[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinolin-3-yl]-(4-tert-butylphenyl)methanol
CID 77228117
tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
CID 123313870

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol (CID 123221740) is [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol.
What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol is Cc1c(CO)c(C2CCC2)nc2c1C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.
What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
The InChIKey is ODEQAUYBRXAXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2Si/c1-15-17(14-25)21(16-10-9-11-16)24-18-12-23(5,6)13-19(20(15)18)26-27(7,8)22(2,3)4/h16,19,25H,9-14H2,1-8H3.
What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol has a molecular weight of 389.66 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutyl-4,7,7-trimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol is sourced from PubChem (CID 123221740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).