tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane

C32H38FNO2Si — CID 135044742

IUPACtert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane
SMILESCC1(C)C[C@]23C[C@@H]4O[C@@]2(CC1O[Si](C)(C)C(C)(C)C)[C@H]3c1nc(-c2ccc3ccccc3c2)c(F)cc14
InChIInChI=1S/C32H38FNO2Si/c1-29(2,3)37(6,7)36-25-17-32-28-27-22(24(35-32)16-31(28,32)18-30(25,4)5)15-23(33)26(34-27)21-13-12-19-10-8-9-11-20(19)14-21/h8-15,24-25,28H,16-18H2,1-7H3/t24-,25?,28-,31-,32-/m0/s1
InChIKeyOPROXCDYGCZUIV-OSYNEXSDSA-N
MW515.75 g/mol
LogP8.55
Rot. Bonds3

About tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane (PubChem CID 135044742) has the molecular formula C32H38FNO2Si and a molecular weight of 515.75 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane
PubChem CID135044742
Molecular FormulaC32H38FNO2Si
Molecular Weight515.75 g/mol
Exact Mass515.27
IUPAC Nametert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane
SMILESCC1(C)C[C@]23C[C@@H]4O[C@@]2(CC1O[Si](C)(C)C(C)(C)C)[C@H]3c1nc(-c2ccc3ccccc3c2)c(F)cc14
InChIInChI=1S/C32H38FNO2Si/c1-29(2,3)37(6,7)36-25-17-32-28-27-22(24(35-32)16-31(28,32)18-30(25,4)5)15-23(33)26(34-27)21-13-12-19-10-8-9-11-20(19)14-21/h8-15,24-25,28H,16-18H2,1-7H3/t24-,25?,28-,31-,32-/m0/s1
InChIKeyOPROXCDYGCZUIV-OSYNEXSDSA-N
XLogP8.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.75
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[2-cyclopentyl-4-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane
CID 20586664
tert-butyl-[2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-yl]oxy-dimethylsilane
CID 20586681
tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
CID 58119706
tert-butyl-[[(8S)-9-cyclohexyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
CID 58119729
tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane
CID 58119782
CID 66761356
CID 66761356
tert-butyl-[(3S,9S)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
CID 66761396
5-[(3R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-yl]-2-(trifluoromethyl)benzonitrile
CID 66761415
CID 66761535
CID 66761535
(3'R,9'S)-9'-(tert-butyldimethylsilyloxy)-4'-isopropyl-7',7'-dimethyl-3'-(4-(trifluoromethyl)phenyl)-6',7',8',9'-tetrahydro-3'H-spiro[cyclopentane-1,1'-furo[3,4-c]quinoline]
CID 66761536
tert-butyl-[(3S,9S)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-3'-iodo-7,7-dimethyl-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
CID 66761537
tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
CID 66761585

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane (CID 135044742) is tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane is CC1(C)C[C@]23C[C@@H]4O[C@@]2(CC1O[Si](C)(C)C(C)(C)C)[C@H]3c1nc(-c2ccc3ccccc3c2)c(F)cc14.
What is the InChIKey of tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane?
The InChIKey is OPROXCDYGCZUIV-OSYNEXSDSA-N. The full InChI is InChI=1S/C32H38FNO2Si/c1-29(2,3)37(6,7)36-25-17-32-28-27-22(24(35-32)16-31(28,32)18-30(25,4)5)15-23(33)26(34-27)21-13-12-19-10-8-9-11-20(19)14-21/h8-15,24-25,28H,16-18H2,1-7H3/t24-,25?,28-,31-,32-/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane has a molecular weight of 515.75 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,9S,11S)-6-fluoro-14,14-dimethyl-5-naphthalen-2-yl-10-oxa-4-azapentacyclo[7.6.1.01,11.02,11.03,8]hexadeca-3,5,7-trien-13-yl]oxy]-dimethylsilane is sourced from PubChem (CID 135044742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).