[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane

C25H54O3Si3 — CID 11420371

IUPAC[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
SMILESC#C[C@H](C[C@@H](O[Si](CC)(CC)CC)[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si3/c1-16-22(27-30(14,15)25(9,10)11)20-23(28-31(17-2,18-3)19-4)21(5)26-29(12,13)24(6,7)8/h1,21-23H,17-20H2,2-15H3/t21-,22+,23+/m0/s1
InChIKeyYWUKYLDPAHBMDO-YTFSRNRJSA-N
MW486.96 g/mol
LogP8.20
Rot. Bonds12

About [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane

[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane (PubChem CID 11420371) has the molecular formula C25H54O3Si3 and a molecular weight of 486.96 g/mol. Its IUPAC name is [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
PubChem CID11420371
Molecular FormulaC25H54O3Si3
Molecular Weight486.96 g/mol
Exact Mass486.34
IUPAC Name[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
SMILESC#C[C@H](C[C@@H](O[Si](CC)(CC)CC)[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si3/c1-16-22(27-30(14,15)25(9,10)11)20-23(28-31(17-2,18-3)19-4)21(5)26-29(12,13)24(6,7)8/h1,21-23H,17-20H2,2-15H3/t21-,22+,23+/m0/s1
InChIKeyYWUKYLDPAHBMDO-YTFSRNRJSA-N
XLogP8.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
CID 10991922
(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
(5R,6S,7S)-5-ethyl-6-((ethyldimethylsilyl)oxy)-3,3,7,9,9-pentamethyl-4,8-dioxa-3,9-disilaundecane
CID 91758702
(5S,6R,7R,8S)-6,7-bis((ethyldimethylsilyl)oxy)-3,3,5,8,10,10-hexamethyl-4,9-dioxa-3,10-disiladodecane
CID 91758712
Tetrakis(ethyldimethylsilyl)-1,6-dideoxygalactitol
CID 91758718
Tetrakis(ethyldimethylsilyl)-1,6-dideoxysorbitol
CID 91758720
(5R,6R,7R)-5-ethyl-6-((ethyldimethylsilyl)oxy)-3,3,7,9,9-pentamethyl-4,8-dioxa-3,9-disilaundecane
CID 91758722
(5R,6R,7S,8S)-6,7-bis((ethyldimethylsilyl)oxy)-3,3,5,8,10,10-hexamethyl-4,9-dioxa-3,10-disiladodecane
CID 91758723
(5R,6R,7R,8R)-6,7-bis((ethyldimethylsilyl)oxy)-3,3,5,8,10,10-hexamethyl-4,9-dioxa-3,10-disiladodecane
CID 91758725
[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane
CID 138984540

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane?
The IUPAC name of [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane (CID 11420371) is [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane?
The canonical SMILES for [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane is C#C[C@H](C[C@@H](O[Si](CC)(CC)CC)[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane?
The InChIKey is YWUKYLDPAHBMDO-YTFSRNRJSA-N. The full InChI is InChI=1S/C25H54O3Si3/c1-16-22(27-30(14,15)25(9,10)11)20-23(28-31(17-2,18-3)19-4)21(5)26-29(12,13)24(6,7)8/h1,21-23H,17-20H2,2-15H3/t21-,22+,23+/m0/s1.
What are the key properties of [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane?
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane has a molecular weight of 486.96 g/mol, XLogP of 8.20, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane is sourced from PubChem (CID 11420371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).