triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane

C17H34OSi — CID 154121335

IUPACtriethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane
SMILESC#CCC(C)(O[Si](CC)(CC)CC)C(C)(C)CCC
InChIInChI=1S/C17H34OSi/c1-9-14-16(6,7)17(8,15-10-2)18-19(11-3,12-4)13-5/h2H,9,11-15H2,1,3-8H3
InChIKeyKMRLNAYSWVVQKE-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.62
Rot. Bonds9

About triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane

triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane (PubChem CID 154121335) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane.

Molecular Properties

Compound Nametriethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane
PubChem CID154121335
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametriethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane
SMILESC#CCC(C)(O[Si](CC)(CC)CC)C(C)(C)CCC
InChIInChI=1S/C17H34OSi/c1-9-14-16(6,7)17(8,15-10-2)18-19(11-3,12-4)13-5/h2H,9,11-15H2,1,3-8H3
InChIKeyKMRLNAYSWVVQKE-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Silane, trimethyl[[1-methyl-1-(2-propynyl)pentyl]oxy]-
CID 10856810
Triethyl[(4-methyloct-1-YN-4-YL)oxy]silane
CID 13260212
(1-Dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane
CID 134877637
Bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane
CID 10763460
tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
CID 11623966
trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
CID 12893761
Tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane
CID 14248070
Tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane
CID 19042215
Trimethyl-(2,3,3,4-tetramethyl-4-trimethylsilylhexan-2-yl)oxysilane
CID 20603291
5,5-dimethyl-1-octyn-4(RS)-ol triethylsilyl ether
CID 21528005
triethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
CID 22791105
Triethyl(4-ethyloct-1-yn-4-yloxy)silane
CID 54243911

Frequently Asked Questions

What is the IUPAC name of triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane?
The IUPAC name of triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane (CID 154121335) is triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane.
What is the SMILES notation for triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane?
The canonical SMILES for triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane is C#CCC(C)(O[Si](CC)(CC)CC)C(C)(C)CCC.
What is the InChIKey of triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane?
The InChIKey is KMRLNAYSWVVQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-9-14-16(6,7)17(8,15-10-2)18-19(11-3,12-4)13-5/h2H,9,11-15H2,1,3-8H3.
What are the key properties of triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane?
triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane has a molecular weight of 282.54 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane is sourced from PubChem (CID 154121335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).