tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane

C21H38OSi — CID 134887179

IUPACtert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C1/C=C/CCCCCCCC1
InChIInChI=1S/C21H38OSi/c1-7-16-20(22-23(5,6)21(2,3)4)19-17-14-12-10-8-9-11-13-15-18-19/h1,14,17,19-20H,8-13,15-16,18H2,2-6H3/b17-14+
InChIKeyVIUAMYBWYIIDHF-SAPNQHFASA-N
MW334.62 g/mol
LogP6.71
Rot. Bonds4

About tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane

tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane (PubChem CID 134887179) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
PubChem CID134887179
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C1/C=C/CCCCCCCC1
InChIInChI=1S/C21H38OSi/c1-7-16-20(22-23(5,6)21(2,3)4)19-17-14-12-10-8-9-11-13-15-18-19/h1,14,17,19-20H,8-13,15-16,18H2,2-6H3/b17-14+
InChIKeyVIUAMYBWYIIDHF-SAPNQHFASA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

tert-butyl-[(1R,2R)-2-but-3-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11021324
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
tert-butyl-[(E,1S,2R)-1-cyclohexyl-2-methyltridec-5-en-3-ynoxy]-dimethylsilane
CID 101168210
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
tert-butyl-[(E,6R,7R,8R,9S)-8-methoxy-7,9-dimethyltridec-3-en-11-yn-6-yl]oxy-dimethylsilane
CID 135015376

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane (CID 134887179) is tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane is C#CCC(O[Si](C)(C)C(C)(C)C)C1/C=C/CCCCCCCC1.
What is the InChIKey of tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane?
The InChIKey is VIUAMYBWYIIDHF-SAPNQHFASA-N. The full InChI is InChI=1S/C21H38OSi/c1-7-16-20(22-23(5,6)21(2,3)4)19-17-14-12-10-8-9-11-13-15-18-19/h1,14,17,19-20H,8-13,15-16,18H2,2-6H3/b17-14+.
What are the key properties of tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane?
tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane has a molecular weight of 334.62 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 134887179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).