tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane

C19H38O2Si2 — CID 10689515

IUPACtert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-13-15-17(21-23(11,12)19(6,7)8)16(14-2)20-22(9,10)18(3,4)5/h1,14,16-17H,2,15H2,3-12H3/t16-,17-/m0/s1
InChIKeyADVDVQVORCYVCR-IRXDYDNUSA-N
MW354.68 g/mol
LogP5.98
Rot. Bonds7

About tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane (PubChem CID 10689515) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane
PubChem CID10689515
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-13-15-17(21-23(11,12)19(6,7)8)16(14-2)20-22(9,10)18(3,4)5/h1,14,16-17H,2,15H2,3-12H3/t16-,17-/m0/s1
InChIKeyADVDVQVORCYVCR-IRXDYDNUSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 11336491
Tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
tert-Butyl-dimethyl-((S)-1-vinyl-hex-4-ynyloxy)-silane
CID 86661510
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
[5,11-Bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane
CID 11990191
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 15416504
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
CID 15422449
tert-butyl-dimethyl-[(3S)-5-tri(propan-2-yl)silylpent-1-en-4-yn-3-yl]oxysilane
CID 72197942
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
tert-butyl-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 135072554
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane
CID 135077532

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane (CID 10689515) is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane is C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane?
The InChIKey is ADVDVQVORCYVCR-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-13-15-17(21-23(11,12)19(6,7)8)16(14-2)20-22(9,10)18(3,4)5/h1,14,16-17H,2,15H2,3-12H3/t16-,17-/m0/s1.
What are the key properties of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane?
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylpent-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 10689515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).