tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane

C18H38O2Si2 — CID 56850000

IUPACtert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
SMILESC#C[C@H](CCO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-12-16(15-20-22(10,11)18(5,6)7)13-14-19-21(8,9)17(2,3)4/h1,16H,13-15H2,2-11H3/t16-/m1/s1
InChIKeyNZOLVFNSXIBTAB-MRXNPFEDSA-N
MW342.67 g/mol
LogP5.67
Rot. Bonds7

About tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane

tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane (PubChem CID 56850000) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
PubChem CID56850000
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nametert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
SMILESC#C[C@H](CCO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-12-16(15-20-22(10,11)18(5,6)7)13-14-19-21(8,9)17(2,3)4/h1,16H,13-15H2,2-11H3/t16-/m1/s1
InChIKeyNZOLVFNSXIBTAB-MRXNPFEDSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
CID 11773114
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
CID 132522568
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile
CID 89366790
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane (CID 56850000) is tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane is C#C[C@H](CCO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane?
The InChIKey is NZOLVFNSXIBTAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-12-16(15-20-22(10,11)18(5,6)7)13-14-19-21(8,9)17(2,3)4/h1,16H,13-15H2,2-11H3/t16-/m1/s1.
What are the key properties of tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane?
tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane has a molecular weight of 342.67 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 56850000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).