tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane

C19H36OSi2 — CID 10520889

IUPACtert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C19H36OSi2/c1-12-14-17(20-22(10,11)18(2,3)4)19(5,6)15-13-16-21(7,8)9/h1,17H,14-15H2,2-11H3
InChIKeyLHXSNZFJZHASJK-UHFFFAOYSA-N
MW336.67 g/mol
LogP5.70
Rot. Bonds5

About tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane

tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane (PubChem CID 10520889) has the molecular formula C19H36OSi2 and a molecular weight of 336.67 g/mol. Its IUPAC name is tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane
PubChem CID10520889
Molecular FormulaC19H36OSi2
Molecular Weight336.67 g/mol
Exact Mass336.23
IUPAC Nametert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C19H36OSi2/c1-12-14-17(20-22(10,11)18(2,3)4)19(5,6)15-13-16-21(7,8)9/h1,17H,14-15H2,2-11H3
InChIKeyLHXSNZFJZHASJK-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.67
LogP ≤ 55.70
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'}

Analyze tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
Tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10664651
Tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10829718
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
CID 11079446
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
CID 135078090
Tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane
CID 135078902
tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
CID 11623966
(3S,4R,5S)-4-(tert-Butyldimethylsilyloxy)-3,5-dimethyl-1-heptyne
CID 13970167
tert-Butyldimethyl-[1-(1-propylcyclobutyl)but-3-ynyloxy]silane
CID 15475299
Tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane
CID 19042215
5,5-Dimethyloct-1-yn-4-yloxy(trimethyl)silane
CID 20288807

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane (CID 10520889) is tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane is C#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane?
The InChIKey is LHXSNZFJZHASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi2/c1-12-14-17(20-22(10,11)18(2,3)4)19(5,6)15-13-16-21(7,8)9/h1,17H,14-15H2,2-11H3.
What are the key properties of tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane?
tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane has a molecular weight of 336.67 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane is sourced from PubChem (CID 10520889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).