tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane

C25H48O2Si2 — CID 135071571

IUPACtert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane
SMILESCC#CCC(CC#CC)(COC[Si](C)(C)C(C)(C)C)COC[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O2Si2/c1-13-15-17-25(18-16-14-2,19-26-21-28(9,10)23(3,4)5)20-27-22-29(11,12)24(6,7)8/h17-22H2,1-12H3
InChIKeyAUKFOLJFCNQKMX-UHFFFAOYSA-N
MW436.83 g/mol
LogP6.93
Rot. Bonds10

About tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane

tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane (PubChem CID 135071571) has the molecular formula C25H48O2Si2 and a molecular weight of 436.83 g/mol. Its IUPAC name is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane
PubChem CID135071571
Molecular FormulaC25H48O2Si2
Molecular Weight436.83 g/mol
Exact Mass436.32
IUPAC Nametert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane
SMILESCC#CCC(CC#CC)(COC[Si](C)(C)C(C)(C)C)COC[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O2Si2/c1-13-15-17-25(18-16-14-2,19-26-21-28(9,10)23(3,4)5)20-27-22-29(11,12)24(6,7)8/h17-22H2,1-12H3
InChIKeyAUKFOLJFCNQKMX-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.83
LogP ≤ 56.93
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'}

Analyze tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane with MolForge

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Related Compounds

Tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10664651
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
CID 11079446
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-2-ynylhex-4-ynoxy]-dimethylsilane
CID 101218243
[4,4-Bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane
CID 10860337
5,5-Bis(methoxymethyl)octa-2,7-diynoxy-but-2-ynoxy-di(propan-2-yl)silane
CID 12101340
Tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane
CID 101166085
Triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane
CID 177460209

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane (CID 135071571) is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane is CC#CCC(CC#CC)(COC[Si](C)(C)C(C)(C)C)COC[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane?
The InChIKey is AUKFOLJFCNQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2Si2/c1-13-15-17-25(18-16-14-2,19-26-21-28(9,10)23(3,4)5)20-27-22-29(11,12)24(6,7)8/h17-22H2,1-12H3.
What are the key properties of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane?
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane has a molecular weight of 436.83 g/mol, XLogP of 6.93, 10 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]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane is sourced from PubChem (CID 135071571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).