triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane

C26H50O2Si2 — CID 134977488

IUPACtriethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
SMILESCC#C[C@@H](C)[C@H](O[Si](CC)(CC)CC)C(C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C#CC
InChIInChI=1S/C26H50O2Si2/c1-12-20-22(9)25(27-29(14-3,15-4)16-5)24(11)26(23(10)21-13-2)28-30(17-6,18-7)19-8/h22-26H,14-19H2,1-11H3/t22-,23-,24?,25-,26+/m1/s1
InChIKeyDWPGIHDQVFRUHN-UKOCARPNSA-N
MW450.86 g/mol
LogP7.72
Rot. Bonds14

About triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane

triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane (PubChem CID 134977488) has the molecular formula C26H50O2Si2 and a molecular weight of 450.86 g/mol. Its IUPAC name is triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
PubChem CID134977488
Molecular FormulaC26H50O2Si2
Molecular Weight450.86 g/mol
Exact Mass450.33
IUPAC Nametriethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
SMILESCC#C[C@@H](C)[C@H](O[Si](CC)(CC)CC)C(C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C#CC
InChIInChI=1S/C26H50O2Si2/c1-12-20-22(9)25(27-29(14-3,15-4)16-5)24(11)26(23(10)21-13-2)28-30(17-6,18-7)19-8/h22-26H,14-19H2,1-11H3/t22-,23-,24?,25-,26+/m1/s1
InChIKeyDWPGIHDQVFRUHN-UKOCARPNSA-N
XLogP7.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.86
LogP ≤ 57.72
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 triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

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
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
(4S,6R)-5-methyl-2,2,4,6-tetra(propan-2-yl)-1,3,2-dioxasilinane
CID 15063086
[(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
[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane
CID 134846317
(6R)-5-methyl-2,2,4,6-tetra(propan-2-yl)-1,3,2-dioxasilinane
CID 134901343
CID 134969845
CID 134969845

Frequently Asked Questions

What is the IUPAC name of triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane?
The IUPAC name of triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane (CID 134977488) is triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane.
What is the SMILES notation for triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane?
The canonical SMILES for triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane is CC#C[C@@H](C)[C@H](O[Si](CC)(CC)CC)C(C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C#CC.
What is the InChIKey of triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane?
The InChIKey is DWPGIHDQVFRUHN-UKOCARPNSA-N. The full InChI is InChI=1S/C26H50O2Si2/c1-12-20-22(9)25(27-29(14-3,15-4)16-5)24(11)26(23(10)21-13-2)28-30(17-6,18-7)19-8/h22-26H,14-19H2,1-11H3/t22-,23-,24?,25-,26+/m1/s1.
What are the key properties of triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane?
triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane has a molecular weight of 450.86 g/mol, XLogP of 7.72, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane is sourced from PubChem (CID 134977488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).