tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane

C17H34OSi2 — CID 11120485

IUPACtert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane
SMILESC=CC(CCCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi2/c1-10-16(18-20(8,9)17(2,3)4)14-12-11-13-15-19(5,6)7/h10,16H,1,11-12,14H2,2-9H3
InChIKeyPLCAQJNGDNKTGO-UHFFFAOYSA-N
MW310.63 g/mol
LogP5.61
Rot. Bonds6

About tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane

tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane (PubChem CID 11120485) has the molecular formula C17H34OSi2 and a molecular weight of 310.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane
PubChem CID11120485
Molecular FormulaC17H34OSi2
Molecular Weight310.63 g/mol
Exact Mass310.21
IUPAC Nametert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane
SMILESC=CC(CCCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi2/c1-10-16(18-20(8,9)17(2,3)4)14-12-11-13-15-19(5,6)7/h10,16H,1,11-12,14H2,2-9H3
InChIKeyPLCAQJNGDNKTGO-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.63
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
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)silyl 1-vinyl-2,4-dodecadiynyl ether
CID 385446
trans-3-tert-Butyldimethylsilyloxy-1-tributylstannyl-1-octene
CID 10414672
Tert-butyl-dimethyl-(1-tributylstannyloct-1-en-3-yloxy)silane
CID 72836218
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane (CID 11120485) is tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane is C=CC(CCCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane?
The InChIKey is PLCAQJNGDNKTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi2/c1-10-16(18-20(8,9)17(2,3)4)14-12-11-13-15-19(5,6)7/h10,16H,1,11-12,14H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane?
tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane has a molecular weight of 310.63 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane is sourced from PubChem (CID 11120485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).