4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)

C64H78F12N2O15S6Si2 — CID 158044968

IUPAC4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)
SMILESCC(O)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CCO[Si](C)(CCCN=C=O)OCC.CO[Si](C)(C)CCCNC(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15S.C13H22F6NO7S2Si.C9H19NO3Si.C6H7F6O5S2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(27-11(21)20-6-5-7-30(3,4)26-2)8-10(28(22,23)12(14,15)16)29(24,25)13(17,18)19;1-4-12-14(3,13-5-2)8-6-7-10-9-11;1-3(13)2-4(18(14,15)5(7,8)9)19(16,17)6(10,11)12/h2*1-15H;9H,5-8H2,1-4H3,(H,20,21);4-8H2,1-3H3;3,13H,2H2,1H3/q2*+1;-1;;-1
InChIKeyFIUKNHZXPJCTTQ-UHFFFAOYSA-N
MW1591.88 g/mol
LogP15.63
Rot. Bonds28

About 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)

4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium) (PubChem CID 158044968) has the molecular formula C64H78F12N2O15S6Si2 and a molecular weight of 1591.88 g/mol. Its IUPAC name is 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium).

Molecular Properties

Compound Name4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)
PubChem CID158044968
Molecular FormulaC64H78F12N2O15S6Si2
Molecular Weight1591.88 g/mol
Exact Mass1590.31
IUPAC Name4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)
SMILESCC(O)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CCO[Si](C)(CCCN=C=O)OCC.CO[Si](C)(C)CCCNC(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15S.C13H22F6NO7S2Si.C9H19NO3Si.C6H7F6O5S2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(27-11(21)20-6-5-7-30(3,4)26-2)8-10(28(22,23)12(14,15)16)29(24,25)13(17,18)19;1-4-12-14(3,13-5-2)8-6-7-10-9-11;1-3(13)2-4(18(14,15)5(7,8)9)19(16,17)6(10,11)12/h2*1-15H;9H,5-8H2,1-4H3,(H,20,21);4-8H2,1-3H3;3,13H,2H2,1H3/q2*+1;-1;;-1
InChIKeyFIUKNHZXPJCTTQ-UHFFFAOYSA-N
XLogP15.63
TPSA252.24 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.88
LogP ≤ 515.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium) with MolForge

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Related Compounds

diethoxy-(3-isocyanatopropyl)-methylsilane;3-[3-[diethoxy(methyl)silyl]propylcarbamoyloxy]-2,2-difluoropentanoate;2,2-difluoro-3-hydroxypentanoate;bis(triphenylsulfanium)
CID 157308032
triethoxy(3-isocyanatopropyl)silane;N-(3-trimethoxysilylpropyl)aniline
CID 159457965
4,4-bis(trifluoromethylsulfonyl)butan-2-yl benzoate
CID 58195638
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
N-[4-[3-isocyanatopropyl(dimethyl)silyl]oxybutyl]acetamide
CID 88535347
2-bromo-N-[3-[diethoxy(methyl)silyl]propyl]acetamide;2-bromo-N-[3-[ethoxy(dimethyl)silyl]propyl]acetamide;2-bromo-N-[4-[methoxy-di(propan-2-yl)silyl]butyl]acetamide
CID 162211898
4,4-bis(trifluoromethylsulfonyl)butan-2-yl (4-hydroxyphenyl) carbonate
CID 58195747
ethyl N-(5-isocyanatopentyl)carbamate
CID 88633869
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744
3-isocyanatopropyl-methyl-di(propan-2-yloxy)silane
CID 87211201
4,4-bis(trifluoromethylsulfonyl)butan-2-yl pent-4-enoate
CID 58195763

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)?
The IUPAC name of 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium) (CID 158044968) is 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium).
What is the SMILES notation for 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)?
The canonical SMILES for 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium) is CC(O)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CCO[Si](C)(CCCN=C=O)OCC.CO[Si](C)(C)CCCNC(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)?
The InChIKey is FIUKNHZXPJCTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15S.C13H22F6NO7S2Si.C9H19NO3Si.C6H7F6O5S2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(27-11(21)20-6-5-7-30(3,4)26-2)8-10(28(22,23)12(14,15)16)29(24,25)13(17,18)19;1-4-12-14(3,13-5-2)8-6-7-10-9-11;1-3(13)2-4(18(14,15)5(7,8)9)19(16,17)6(10,11)12/h2*1-15H;9H,5-8H2,1-4H3,(H,20,21);4-8H2,1-3H3;3,13H,2H2,1H3/q2*+1;-1;;-1.
What are the key properties of 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium)?
4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium) has a molecular weight of 1591.88 g/mol, XLogP of 15.63, 28 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(trifluoromethylsulfonyl)butan-2-ol;4,4-bis(trifluoromethylsulfonyl)butan-2-yl N-[3-[methoxy(dimethyl)silyl]propyl]carbamate;diethoxy-(3-isocyanatopropyl)-methylsilane;bis(triphenylsulfanium) is sourced from PubChem (CID 158044968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).