triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane

C22H44O2Si2 — CID 134865990

IUPACtriethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane
SMILESC#C[C@](C)(O[Si](CC)(CC)CC)[C@@H](CCCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H44O2Si2/c1-10-18-19-20-21(23-25(12-3,13-4)14-5)22(9,11-2)24-26(15-6,16-7)17-8/h2,10,21H,1,12-20H2,3-9H3/t21-,22+/m1/s1
InChIKeyUZAFTCHFIUYGFY-YADHBBJMSA-N
MW396.76 g/mol
LogP7.15
Rot. Bonds15

About triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane

triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane (PubChem CID 134865990) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane
PubChem CID134865990
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametriethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane
SMILESC#C[C@](C)(O[Si](CC)(CC)CC)[C@@H](CCCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H44O2Si2/c1-10-18-19-20-21(23-25(12-3,13-4)14-5)22(9,11-2)24-26(15-6,16-7)17-8/h2,10,21H,1,12-20H2,3-9H3/t21-,22+/m1/s1
InChIKeyUZAFTCHFIUYGFY-YADHBBJMSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.15
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
CID 15422449
Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane
CID 122395882
(3S,6R)-6-(Tert-butyldimethylsiloxy)-3-methylnonen-8-yne
CID 101618203
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane
CID 10894868
tert-butyl-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 58623324
tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhept-6-yn-2-yl]oxy-dimethylsilane
CID 60011472
tert-butyl-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhept-6-yn-2-yl]oxy-dimethylsilane
CID 60011473
tert-butyl-[(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane
CID 87486925
tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane
CID 88965288
tert-butyl-[(3R,4S,5R)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 89751212
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 91038666
tert-butyl-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane
CID 91868234

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane (CID 134865990) is triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane is C#C[C@](C)(O[Si](CC)(CC)CC)[C@@H](CCCC=C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane?
The InChIKey is UZAFTCHFIUYGFY-YADHBBJMSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-10-18-19-20-21(23-25(12-3,13-4)14-5)22(9,11-2)24-26(15-6,16-7)17-8/h2,10,21H,1,12-20H2,3-9H3/t21-,22+/m1/s1.
What are the key properties of triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane?
triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane has a molecular weight of 396.76 g/mol, XLogP of 7.15, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane is sourced from PubChem (CID 134865990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).