[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane

C24H52O3Si3 — CID 11271407

IUPAC[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
SMILESC#C[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O3Si3/c1-17-20(26-29(13,14)23(5,6)7)18-21(27-30(15,16)24(8,9)10)19-25-28(11,12)22(2,3)4/h1,20-21H,18-19H2,2-16H3/t20-,21-/m1/s1
InChIKeyCLRIONAVKMNTCG-NHCUHLMSSA-N
MW472.94 g/mol
LogP7.81
Rot. Bonds9

About [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane

[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 11271407) has the molecular formula C24H52O3Si3 and a molecular weight of 472.94 g/mol. Its IUPAC name is [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
PubChem CID11271407
Molecular FormulaC24H52O3Si3
Molecular Weight472.94 g/mol
Exact Mass472.32
IUPAC Name[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
SMILESC#C[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O3Si3/c1-17-20(26-29(13,14)23(5,6)7)18-21(27-30(15,16)24(8,9)10)19-25-28(11,12)22(2,3)4/h1,20-21H,18-19H2,2-16H3/t20-,21-/m1/s1
InChIKeyCLRIONAVKMNTCG-NHCUHLMSSA-N
XLogP7.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.94
LogP ≤ 57.81
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-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
3,9,11,12-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilyldodeca-1,7-diyn-5-ol
CID 72827935
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
CID 71503804
tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane
CID 169074612
[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium
CID 175296178
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium
CID 88611659
tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
CID 56850000
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-4-(oxiran-2-yl)butan-2-yl]oxy-dimethylsilane
CID 87093292
6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
CID 10612795

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane (CID 11271407) is [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane is C#C[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is CLRIONAVKMNTCG-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H52O3Si3/c1-17-20(26-29(13,14)23(5,6)7)18-21(27-30(15,16)24(8,9)10)19-25-28(11,12)22(2,3)4/h1,20-21H,18-19H2,2-16H3/t20-,21-/m1/s1.
What are the key properties of [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane?
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 472.94 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11271407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).