tert-butyl-(3-ethynoxypropoxy)-dimethylsilane

C11H22O2Si — CID 176737355

IUPACtert-butyl-(3-ethynoxypropoxy)-dimethylsilane
SMILESC#COCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-12-9-8-10-13-14(5,6)11(2,3)4/h1H,8-10H2,2-6H3
InChIKeyTZWOFHASAJQBLI-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.01
Rot. Bonds5

About tert-butyl-(3-ethynoxypropoxy)-dimethylsilane

tert-butyl-(3-ethynoxypropoxy)-dimethylsilane (PubChem CID 176737355) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is tert-butyl-(3-ethynoxypropoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-ethynoxypropoxy)-dimethylsilane
PubChem CID176737355
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametert-butyl-(3-ethynoxypropoxy)-dimethylsilane
SMILESC#COCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-12-9-8-10-13-14(5,6)11(2,3)4/h1H,8-10H2,2-6H3
InChIKeyTZWOFHASAJQBLI-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tert-butyl-(4,4-dimethylpentoxy)-dimethylsilane
CID 59819312
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
tert-butyl-[3-[diethoxy(methyl)silyl]propoxy]-dimethylsilane
CID 86070963
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
lithium tert-butyl-hex-5-ynoxy-dimethylsilane
CID 11009447

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-ethynoxypropoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-ethynoxypropoxy)-dimethylsilane (CID 176737355) is tert-butyl-(3-ethynoxypropoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-ethynoxypropoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-ethynoxypropoxy)-dimethylsilane is C#COCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-ethynoxypropoxy)-dimethylsilane?
The InChIKey is TZWOFHASAJQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-12-9-8-10-13-14(5,6)11(2,3)4/h1H,8-10H2,2-6H3.
What are the key properties of tert-butyl-(3-ethynoxypropoxy)-dimethylsilane?
tert-butyl-(3-ethynoxypropoxy)-dimethylsilane has a molecular weight of 214.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-ethynoxypropoxy)-dimethylsilane is sourced from PubChem (CID 176737355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).