tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane

C24H48O3Si2 — CID 11561264

IUPACtert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane
SMILESC=C(C)CC(CC#CCOC)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si2/c1-21(2)18-24(16-14-15-17-25-9,19-26-28(10,11)22(3,4)5)20-27-29(12,13)23(6,7)8/h1,16-20H2,2-13H3
InChIKeyNTBZGJHDHQZFTP-UHFFFAOYSA-N
MW440.82 g/mol
LogP7.02
Rot. Bonds10

About tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane

tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane (PubChem CID 11561264) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane
PubChem CID11561264
Molecular FormulaC24H48O3Si2
Molecular Weight440.82 g/mol
Exact Mass440.31
IUPAC Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane
SMILESC=C(C)CC(CC#CCOC)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si2/c1-21(2)18-24(16-14-15-17-25-9,19-26-28(10,11)22(3,4)5)20-27-29(12,13)23(6,7)8/h1,16-20H2,2-13H3
InChIKeyNTBZGJHDHQZFTP-UHFFFAOYSA-N
XLogP7.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
CID 101400084
tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
CID 101400103
[6-Tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane
CID 135011635
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 12147910
tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 10927403
[9,9-Bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 11144282
tert-butyl-[(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 11825446
Tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane
CID 102600478

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane (CID 11561264) is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane is C=C(C)CC(CC#CCOC)(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]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane?
The InChIKey is NTBZGJHDHQZFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-21(2)18-24(16-14-15-17-25-9,19-26-28(10,11)22(3,4)5)20-27-29(12,13)23(6,7)8/h1,16-20H2,2-13H3.
What are the key properties of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane?
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane has a molecular weight of 440.82 g/mol, XLogP of 7.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 11561264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).