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

C20H38OSi2 — CID 135078902

IUPACtert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane
SMILESCC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C20H38OSi2/c1-12-13-15-18(21-23(10,11)19(2,3)4)20(5,6)16-14-17-22(7,8)9/h18H,15-16H2,1-11H3
InChIKeyRDDBMTIXDRZKIB-UHFFFAOYSA-N
MW350.70 g/mol
LogP6.09
Rot. Bonds5

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

tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane (PubChem CID 135078902) has the molecular formula C20H38OSi2 and a molecular weight of 350.70 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane
PubChem CID135078902
Molecular FormulaC20H38OSi2
Molecular Weight350.70 g/mol
Exact Mass350.25
IUPAC Nametert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane
SMILESCC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C20H38OSi2/c1-12-13-15-18(21-23(10,11)19(2,3)4)20(5,6)16-14-17-22(7,8)9/h18H,15-16H2,1-11H3
InChIKeyRDDBMTIXDRZKIB-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.70
LogP ≤ 56.09
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

2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
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-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane
CID 101168208
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
CID 135078090
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-dimethyl-1-octyn-4(RS)-ol triethylsilyl ether
CID 21528005

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane (CID 135078902) is tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane is CC#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-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane?
The InChIKey is RDDBMTIXDRZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi2/c1-12-13-15-18(21-23(10,11)19(2,3)4)20(5,6)16-14-17-22(7,8)9/h18H,15-16H2,1-11H3.
What are the key properties of tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane?
tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane has a molecular weight of 350.70 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane is sourced from PubChem (CID 135078902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).