tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane

C22H46O2Si2 — CID 10548918

IUPACtert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
SMILESC#C[C@@H](C)[C@H](CC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H46O2Si2/c1-12-20(6)21(24-26(13-2,14-3)15-4)17-16-19(5)18-23-25(10,11)22(7,8)9/h1,19-21H,13-18H2,2-11H3/t19-,20+,21-/m0/s1
InChIKeyARYKCDHYQWPQET-HBMCJLEFSA-N
MW398.78 g/mol
LogP7.08
Rot. Bonds12

About tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane

tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane (PubChem CID 10548918) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
PubChem CID10548918
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Nametert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
SMILESC#C[C@@H](C)[C@H](CC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H46O2Si2/c1-12-20(6)21(24-26(13-2,14-3)15-4)17-16-19(5)18-23-25(10,11)22(7,8)9/h1,19-21H,13-18H2,2-11H3/t19-,20+,21-/m0/s1
InChIKeyARYKCDHYQWPQET-HBMCJLEFSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.08
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

Silane, dimethyl(2-methyloct-5-yn-4-yloxy)heptyloxy-
CID 91738892
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
CID 10991922
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
triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
CID 134977488
(3S,4R,5S,7R)-4-(tert-Butyldimethylsilyloxy)-7-((tert-butyldimethylsilyloxy)methyl)-3,5-dimethyloct-1-yne
CID 11407294
tert-butyl-dimethyl-[(3S,5S)-5-methylnon-1-yn-3-yl]oxysilane
CID 14844033
tert-butyl-dimethyl-[(3S,5R)-5-methylnon-1-yn-3-yl]oxysilane
CID 15280327
Tert-butyl-(6-ethyloct-1-yn-3-yloxy)-dimethylsilane
CID 20259595
tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane
CID 22873868
(3S,4R,5S)-4,8-bis(tert-Butyldimethylsilyloxy)-3,5-dimethyloct-1-yne
CID 86602897

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane (CID 10548918) is tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane is C#C[C@@H](C)[C@H](CC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane?
The InChIKey is ARYKCDHYQWPQET-HBMCJLEFSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-12-20(6)21(24-26(13-2,14-3)15-4)17-16-19(5)18-23-25(10,11)22(7,8)9/h1,19-21H,13-18H2,2-11H3/t19-,20+,21-/m0/s1.
What are the key properties of tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane?
tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane has a molecular weight of 398.78 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane is sourced from PubChem (CID 10548918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).