[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-(trifluoromethyl)phenyl]methanol

C35H48F3NO4Si — CID 77227805

IUPAC[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-(trifluoromethyl)phenyl]methanol
SMILESCC1(C)Cc2nc(C3CCOCC3)c(C(O)c3ccc(C(F)(F)F)cc3)c(C3=CCOCC3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C35H48F3NO4Si/c1-33(2,3)44(6,7)43-27-21-34(4,5)20-26-29(27)28(22-12-16-41-17-13-22)30(31(39-26)23-14-18-42-19-15-23)32(40)24-8-10-25(11-9-24)35(36,37)38/h8-12,23,27,32,40H,13-21H2,1-7H3
InChIKeyABUSVKGJAJGFKQ-UHFFFAOYSA-N
MW631.85 g/mol
LogP8.92
Rot. Bonds6

About [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-(trifluoromethyl)phenyl]methanol

[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-(trifluoromethyl)phenyl]methanol (PubChem CID 77227805) has the molecular formula C35H48F3NO4Si and a molecular weight of 631.85 g/mol. Its IUPAC name is [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-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[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-(trifluoromethyl)phenyl]methanol
PubChem CID77227805
Molecular FormulaC35H48F3NO4Si
Molecular Weight631.85 g/mol
Exact Mass631.33
IUPAC Name[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-(trifluoromethyl)phenyl]methanol
SMILESCC1(C)Cc2nc(C3CCOCC3)c(C(O)c3ccc(C(F)(F)F)cc3)c(C3=CCOCC3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C35H48F3NO4Si/c1-33(2,3)44(6,7)43-27-21-34(4,5)20-26-29(27)28(22-12-16-41-17-13-22)30(31(39-26)23-14-18-42-19-15-23)32(40)24-8-10-25(11-9-24)35(36,37)38/h8-12,23,27,32,40H,13-21H2,1-7H3
InChIKeyABUSVKGJAJGFKQ-UHFFFAOYSA-N
XLogP8.92
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.85
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [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-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [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-(trifluoromethyl)phenyl]methanol (CID 77227805) is [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-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [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-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [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-(trifluoromethyl)phenyl]methanol is CC1(C)Cc2nc(C3CCOCC3)c(C(O)c3ccc(C(F)(F)F)cc3)c(C3=CCOCC3)c2C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [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-(trifluoromethyl)phenyl]methanol?
The InChIKey is ABUSVKGJAJGFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48F3NO4Si/c1-33(2,3)44(6,7)43-27-21-34(4,5)20-26-29(27)28(22-12-16-41-17-13-22)30(31(39-26)23-14-18-42-19-15-23)32(40)24-8-10-25(11-9-24)35(36,37)38/h8-12,23,27,32,40H,13-21H2,1-7H3.
What are the key properties of [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-(trifluoromethyl)phenyl]methanol?
[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-(trifluoromethyl)phenyl]methanol has a molecular weight of 631.85 g/mol, XLogP of 8.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 77227805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).