potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide

C24H51KO5Si2 — CID 159690064

IUPACpotassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide
SMILESC#CCC[C@@H](O)CC.CC(C)(C)[Si](C)(C)OC[C@H](O)CCC#C[Si](C)(C)C.CCO.[K+].[OH-]
InChIInChI=1S/C15H32O2Si2.C7H12O.C2H6O.K.H2O/c1-15(2,3)19(7,8)17-13-14(16)11-9-10-12-18(4,5)6;1-3-5-6-7(8)4-2;1-2-3;;/h14,16H,9,11,13H2,1-8H3;1,7-8H,4-6H2,2H3;3H,2H2,1H3;;1H2/q;;;+1;/p-1/t14-;7-;;;/m10.../s1
InChIKeyMWHINSBGLYJAIU-WCBHZCPMSA-M
MW514.94 g/mol
LogP2.03
Rot. Bonds8

About potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide

potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide (PubChem CID 159690064) has the molecular formula C24H51KO5Si2 and a molecular weight of 514.94 g/mol. Its IUPAC name is potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide.

Molecular Properties

Compound Namepotassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide
PubChem CID159690064
Molecular FormulaC24H51KO5Si2
Molecular Weight514.94 g/mol
Exact Mass514.29
IUPAC Namepotassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide
SMILESC#CCC[C@@H](O)CC.CC(C)(C)[Si](C)(C)OC[C@H](O)CCC#C[Si](C)(C)C.CCO.[K+].[OH-]
InChIInChI=1S/C15H32O2Si2.C7H12O.C2H6O.K.H2O/c1-15(2,3)19(7,8)17-13-14(16)11-9-10-12-18(4,5)6;1-3-5-6-7(8)4-2;1-2-3;;/h14,16H,9,11,13H2,1-8H3;1,7-8H,4-6H2,2H3;3H,2H2,1H3;;1H2/q;;;+1;/p-1/t14-;7-;;;/m10.../s1
InChIKeyMWHINSBGLYJAIU-WCBHZCPMSA-M
XLogP2.03
TPSA99.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.94
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(5r,6r)-1,6-Di-t-butyldimethylsiloxy-5-hydroxyheptadec-2-yne
CID 129776450
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol
CID 134872461
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930779
(3S,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930780
(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol
CID 135019170
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
CID 10595476
(6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol
CID 10993297
6,10-Bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol
CID 19096694
(5S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]deca-1,3-diyn-5-ol
CID 88375271
(R)-1-((tert-butyldimethylsilyl)oxy)-6-(trimethylsilyl)hex-5-yn-2-ol
CID 90204944

Frequently Asked Questions

What is the IUPAC name of potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide?
The IUPAC name of potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide (CID 159690064) is potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide.
What is the SMILES notation for potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide?
The canonical SMILES for potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide is C#CCC[C@@H](O)CC.CC(C)(C)[Si](C)(C)OC[C@H](O)CCC#C[Si](C)(C)C.CCO.[K+].[OH-].
What is the InChIKey of potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide?
The InChIKey is MWHINSBGLYJAIU-WCBHZCPMSA-M. The full InChI is InChI=1S/C15H32O2Si2.C7H12O.C2H6O.K.H2O/c1-15(2,3)19(7,8)17-13-14(16)11-9-10-12-18(4,5)6;1-3-5-6-7(8)4-2;1-2-3;;/h14,16H,9,11,13H2,1-8H3;1,7-8H,4-6H2,2H3;3H,2H2,1H3;;1H2/q;;;+1;/p-1/t14-;7-;;;/m10.../s1.
What are the key properties of potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide?
potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide has a molecular weight of 514.94 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide is sourced from PubChem (CID 159690064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).