tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane

C23H48O2Si2 — CID 11603993

IUPACtert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane
SMILESC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C23H48O2Si2/c1-13-20(6)22(25-26(11,12)23(8,9)10)21(7)17-19(5)18-24-27(14-2,15-3)16-4/h1,19-22H,14-18H2,2-12H3/t19-,20+,21+,22+/m1/s1
InChIKeyXJVGQYBFHKDKFD-MLNNCEHLSA-N
MW412.81 g/mol
LogP7.33
Rot. Bonds12

About tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane (PubChem CID 11603993) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane
PubChem CID11603993
Molecular FormulaC23H48O2Si2
Molecular Weight412.81 g/mol
Exact Mass412.32
IUPAC Nametert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane
SMILESC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C23H48O2Si2/c1-13-20(6)22(25-26(11,12)23(8,9)10)21(7)17-19(5)18-24-27(14-2,15-3)16-4/h1,19-22H,14-18H2,2-12H3/t19-,20+,21+,22+/m1/s1
InChIKeyXJVGQYBFHKDKFD-MLNNCEHLSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.81
LogP ≤ 57.33
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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Launch Full Analysis

Related Compounds

Silane, dimethyl(2-methyloct-5-yn-4-yloxy)heptyloxy-
CID 91738892
tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
CID 10548918
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
tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
CID 101168207
triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
CID 134977488
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane
CID 14314328
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane (CID 11603993) is tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane is C#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane?
The InChIKey is XJVGQYBFHKDKFD-MLNNCEHLSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-13-20(6)22(25-26(11,12)23(8,9)10)21(7)17-19(5)18-24-27(14-2,15-3)16-4/h1,19-22H,14-18H2,2-12H3/t19-,20+,21+,22+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane has a molecular weight of 412.81 g/mol, XLogP of 7.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R,5S,7R)-3,5,7-trimethyl-8-triethylsilyloxyoct-1-yn-4-yl]oxysilane is sourced from PubChem (CID 11603993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).