tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane

C21H40O2Si2 — CID 11079446

IUPACtert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
SMILESC#CCC(CC#C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si2/c1-13-15-21(16-14-2,17-22-24(9,10)19(3,4)5)18-23-25(11,12)20(6,7)8/h1-2H,15-18H2,3-12H3
InChIKeyQPJNJLOPCNGNDM-UHFFFAOYSA-N
MW380.72 g/mol
LogP6.06
Rot. Bonds8

About tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane

tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane (PubChem CID 11079446) has the molecular formula C21H40O2Si2 and a molecular weight of 380.72 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
PubChem CID11079446
Molecular FormulaC21H40O2Si2
Molecular Weight380.72 g/mol
Exact Mass380.26
IUPAC Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
SMILESC#CCC(CC#C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si2/c1-13-15-21(16-14-2,17-22-24(9,10)19(3,4)5)18-23-25(11,12)20(6,7)8/h1-2H,15-18H2,3-12H3
InChIKeyQPJNJLOPCNGNDM-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.72
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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
[3,3-Dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane
CID 134875389
Tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane
CID 135071571
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
CID 154707127
Trimethyl-[2-prop-2-ynyl-2-(trimethylsilyloxymethyl)pent-4-ynoxy]silane
CID 15422253
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-2-ynylhex-4-ynoxy]-dimethylsilane
CID 101218243
Tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane
CID 10520889
tert-butyl-dimethyl-[(3R)-3-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 10570287
Tert-butyl-(5,5-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10710999
[4,4-Bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane
CID 10860337

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane (CID 11079446) is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane is C#CCC(CC#C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane?
The InChIKey is QPJNJLOPCNGNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2Si2/c1-13-15-21(16-14-2,17-22-24(9,10)19(3,4)5)18-23-25(11,12)20(6,7)8/h1-2H,15-18H2,3-12H3.
What are the key properties of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane?
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane has a molecular weight of 380.72 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 11079446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).