tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane

C22H46O2Si2 — CID 53329373

IUPACtert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane
SMILESC#CC[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O2Si2/c1-13-16-19(2)20(24-26(11,12)22(6,7)8)17-14-15-18-23-25(9,10)21(3,4)5/h1,19-20H,14-18H2,2-12H3/t19-,20-/m0/s1
InChIKeyCUMIGQWSFXQMIM-PMACEKPBSA-N
MW398.78 g/mol
LogP7.23
Rot. Bonds10

About tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane

tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane (PubChem CID 53329373) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane
PubChem CID53329373
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Nametert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane
SMILESC#CC[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O2Si2/c1-13-16-19(2)20(24-26(11,12)22(6,7)8)17-14-15-18-23-25(9,10)21(3,4)5/h1,19-20H,14-18H2,2-12H3/t19-,20-/m0/s1
InChIKeyCUMIGQWSFXQMIM-PMACEKPBSA-N
XLogP7.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.23
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

Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
Silane, diethyldecyloxy(6-ethyloct-3-yloxy)-
CID 91744124
Silane, diethyl(6-ethyloct-3-yloxy)undecyloxy-
CID 91744445
Silane, diethyldodecyloxy(6-ethyloct-3-yloxy)-
CID 91744729
Silane, diethyl(6-ethyloct-3-yloxy)tridecyloxy-
CID 91744990
Silane, diethyl(6-ethyloct-3-yloxy)tetradecyloxy-
CID 91745182
Silane, diethyl(6-ethyloct-3-yloxy)pentadecyloxy-
CID 91745383
Silane, diethyl(6-ethyloct-3-yloxy)hexadecyloxy-
CID 91745523
Silane, diethyl(6-ethyloct-3-yloxy)heptadecyloxy-
CID 91745649
tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
CID 10548918
triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
CID 11384680
[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
CID 25107594

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane (CID 53329373) is tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane is C#CC[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane?
The InChIKey is CUMIGQWSFXQMIM-PMACEKPBSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-13-16-19(2)20(24-26(11,12)22(6,7)8)17-14-15-18-23-25(9,10)21(3,4)5/h1,19-20H,14-18H2,2-12H3/t19-,20-/m0/s1.
What are the key properties of tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane?
tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane has a molecular weight of 398.78 g/mol, XLogP of 7.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-ynoxy]-dimethylsilane is sourced from PubChem (CID 53329373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).