(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol

C35H48F3NO3Si — CID 162560765

IUPAC(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1nc2c(c(C3=CCOCC3)c1[C@H](O)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC1(CCCC1)C2
InChIInChI=1S/C35H48F3NO3Si/c1-22(2)31-30(32(40)24-10-12-25(13-11-24)35(36,37)38)28(23-14-18-41-19-15-23)29-26(39-31)20-34(16-8-9-17-34)21-27(29)42-43(6,7)33(3,4)5/h10-14,22,27,32,40H,8-9,15-21H2,1-7H3/t27?,32-/m1/s1
InChIKeyRETFKBICRPCTRP-ZGKSLXBNSA-N
MW615.85 g/mol
LogP9.68
Rot. Bonds6

About (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol

(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 162560765) has the molecular formula C35H48F3NO3Si and a molecular weight of 615.85 g/mol. Its IUPAC name is (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID162560765
Molecular FormulaC35H48F3NO3Si
Molecular Weight615.85 g/mol
Exact Mass615.34
IUPAC Name(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1nc2c(c(C3=CCOCC3)c1[C@H](O)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC1(CCCC1)C2
InChIInChI=1S/C35H48F3NO3Si/c1-22(2)31-30(32(40)24-10-12-25(13-11-24)35(36,37)38)28(23-14-18-41-19-15-23)29-26(39-31)20-34(16-8-9-17-34)21-27(29)42-43(6,7)33(3,4)5/h10-14,22,27,32,40H,8-9,15-21H2,1-7H3/t27?,32-/m1/s1
InChIKeyRETFKBICRPCTRP-ZGKSLXBNSA-N
XLogP9.68
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.85
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 77227760
5-[(R)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-hydroxymethyl]-2-(trifluoromethyl)benzonitrile
CID 66761473
[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-(4-tert-butylphenyl)methanol
CID 66762248
[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 66761506
(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol
CID 66762862
[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 77227857
[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
(S)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 66761164
[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
(S)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 66763164
[5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 77227734
[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol
CID 66762971

Frequently Asked Questions

What is the IUPAC name of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol (CID 162560765) is (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol is CC(C)c1nc2c(c(C3=CCOCC3)c1[C@H](O)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC1(CCCC1)C2.
What is the InChIKey of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is RETFKBICRPCTRP-ZGKSLXBNSA-N. The full InChI is InChI=1S/C35H48F3NO3Si/c1-22(2)31-30(32(40)24-10-12-25(13-11-24)35(36,37)38)28(23-14-18-41-19-15-23)29-26(39-31)20-34(16-8-9-17-34)21-27(29)42-43(6,7)33(3,4)5/h10-14,22,27,32,40H,8-9,15-21H2,1-7H3/t27?,32-/m1/s1.
What are the key properties of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 615.85 g/mol, XLogP of 9.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 162560765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).