1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane

C21H38OSi — CID 46895237

IUPAC1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane
SMILESCCCCCCC#CC(O[Si](CC)(CC)CC)C1=CCCCC1
InChIInChI=1S/C21H38OSi/c1-5-9-10-11-12-16-19-21(20-17-14-13-15-18-20)22-23(6-2,7-3)8-4/h17,21H,5-15,18H2,1-4H3
InChIKeyPQYXFGVUUFYNIC-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.85
Rot. Bonds10

About 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane

1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane (PubChem CID 46895237) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane
PubChem CID46895237
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane
SMILESCCCCCCC#CC(O[Si](CC)(CC)CC)C1=CCCCC1
InChIInChI=1S/C21H38OSi/c1-5-9-10-11-12-16-19-21(20-17-14-13-15-18-20)22-23(6-2,7-3)8-4/h17,21H,5-15,18H2,1-4H3
InChIKeyPQYXFGVUUFYNIC-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

trimethyl-[2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 11653175
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974
7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11068043
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-[(1R,4E)-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414672
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414674
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane?
The IUPAC name of 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane (CID 46895237) is 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane.
What is the SMILES notation for 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane?
The canonical SMILES for 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane is CCCCCCC#CC(O[Si](CC)(CC)CC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane?
The InChIKey is PQYXFGVUUFYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-5-9-10-11-12-16-19-21(20-17-14-13-15-18-20)22-23(6-2,7-3)8-4/h17,21H,5-15,18H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane?
1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane has a molecular weight of 334.62 g/mol, XLogP of 6.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)non-2-ynoxy-triethylsilane is sourced from PubChem (CID 46895237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).