2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride

C68H91ClF6N8O14S2Si2 — CID 157395574

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride
SMILESCC(C)(C)[Si](C)(C)OCCO.Cc1cc(N(C)C(=O)Cl)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O.Cc1cc(N(C)C(=O)OCCO[Si](C)(C)C(C)(C)C)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O
InChIInChI=1S/C34H45F3N4O7SSi.C26H26ClF3N4O5S.C8H20O2Si/c1-23-20-26(40(6)31(43)46-17-18-47-50(7,8)32(3,4)5)21-24(2)28(23)12-19-49(44,45)41-15-13-33(14-16-41)30(42)38-29(39-33)25-10-9-11-27(22-25)48-34(35,36)37;1-16-13-19(33(3)24(27)36)14-17(2)21(16)7-12-40(37,38)34-10-8-25(9-11-34)23(35)31-22(32-25)18-5-4-6-20(15-18)39-26(28,29)30;1-8(2,3)11(4,5)10-7-6-9/h9-12,19-22H,13-18H2,1-8H3,(H,38,39,42);4-7,12-15H,8-11H2,1-3H3,(H,31,32,35);9H,6-7H2,1-5H3/b19-12+;12-7+;
InChIKeyBMNLUOJALSROHF-VRARGBHMSA-N
MW1514.26 g/mol
LogP13.22
Rot. Bonds19

About 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride

2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride (PubChem CID 157395574) has the molecular formula C68H91ClF6N8O14S2Si2 and a molecular weight of 1514.26 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride
PubChem CID157395574
Molecular FormulaC68H91ClF6N8O14S2Si2
Molecular Weight1514.26 g/mol
Exact Mass1512.52
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride
SMILESCC(C)(C)[Si](C)(C)OCCO.Cc1cc(N(C)C(=O)Cl)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O.Cc1cc(N(C)C(=O)OCCO[Si](C)(C)C(C)(C)C)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O
InChIInChI=1S/C34H45F3N4O7SSi.C26H26ClF3N4O5S.C8H20O2Si/c1-23-20-26(40(6)31(43)46-17-18-47-50(7,8)32(3,4)5)21-24(2)28(23)12-19-49(44,45)41-15-13-33(14-16-41)30(42)38-29(39-33)25-10-9-11-27(22-25)48-34(35,36)37;1-16-13-19(33(3)24(27)36)14-17(2)21(16)7-12-40(37,38)34-10-8-25(9-11-34)23(35)31-22(32-25)18-5-4-6-20(15-18)39-26(28,29)30;1-8(2,3)11(4,5)10-7-6-9/h9-12,19-22H,13-18H2,1-8H3,(H,38,39,42);4-7,12-15H,8-11H2,1-3H3,(H,31,32,35);9H,6-7H2,1-5H3/b19-12+;12-7+;
InChIKeyBMNLUOJALSROHF-VRARGBHMSA-N
XLogP13.22
TPSA264.68 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.26
LogP ≤ 513.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride with MolForge

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Related Compounds

1-[3,5-dimethyl-4-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1,3-bis(2-hydroxyethyl)-3-methylurea
CID 66817033
N,N,3,5-tetramethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]benzamide
CID 66816446
2-chloroacetyl chloride;2-chloro-N-methyl-N-[3-methyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]acetamide;8-[(E)-2-[2-methyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 161350652
8-[2-[4-(3-fluoropyrrolidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817927
2-(dimethylamino)ethanol;2-(dimethylamino)ethyl N-methyl-N-[3-methyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]carbamate;8-[(E)-2-(4-ethyl-2-methylphenyl)ethenyl]sulfonyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;(4-nitrophenyl) carbonochloridate
CID 158912100
8-[(E)-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2,6-dimethylphenyl]ethenyl]sulfonyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817110
1-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(4,4,4-trifluorobutyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-methylurea
CID 66817900
N-[3-methyl-4-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-propan-2-ylacetamide
CID 66816808
3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 66816691
8-[(E)-2-(5-hydroxy-2-methylphenyl)ethenyl]sulfonyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66816867
1-cyclopentyl-1-[3-methyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]urea
CID 66817466
1-[3,5-dimethyl-4-[2-[[2-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-methylurea
CID 123917604

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride (CID 157395574) is 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride is CC(C)(C)[Si](C)(C)OCCO.Cc1cc(N(C)C(=O)Cl)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O.Cc1cc(N(C)C(=O)OCCO[Si](C)(C)C(C)(C)C)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride?
The InChIKey is BMNLUOJALSROHF-VRARGBHMSA-N. The full InChI is InChI=1S/C34H45F3N4O7SSi.C26H26ClF3N4O5S.C8H20O2Si/c1-23-20-26(40(6)31(43)46-17-18-47-50(7,8)32(3,4)5)21-24(2)28(23)12-19-49(44,45)41-15-13-33(14-16-41)30(42)38-29(39-33)25-10-9-11-27(22-25)48-34(35,36)37;1-16-13-19(33(3)24(27)36)14-17(2)21(16)7-12-40(37,38)34-10-8-25(9-11-34)23(35)31-22(32-25)18-5-4-6-20(15-18)39-26(28,29)30;1-8(2,3)11(4,5)10-7-6-9/h9-12,19-22H,13-18H2,1-8H3,(H,38,39,42);4-7,12-15H,8-11H2,1-3H3,(H,31,32,35);9H,6-7H2,1-5H3/b19-12+;12-7+;.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride?
2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride has a molecular weight of 1514.26 g/mol, XLogP of 13.22, 19 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethanol;2-[tert-butyl(dimethyl)silyl]oxyethyl N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamate;N-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 157395574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).